[3-[[(5Z)-5-[6-[[4-[bis(2-chloroethyl)amino]-3-fluoranyl-phenyl]carbamoyl]-3-methyl-1H-benzimidazol-2-ylidene]pyrrol-3-yl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium iodide

Systemtic Name: [3-[[(5Z)-5-[6-[[4-[bis(2-chloroethyl)amino]-3-fluoranyl-phenyl]carbamoyl]-3-methyl-1H-benzimidazol-2-ylidene]pyrrol-3-yl]amino]-3-oxidanylidene-propyl]-dimethyl-sulfanium iodide Openeye Name: [3-[[(5Z)-5-[6-[[4-[bis(2-chloroethyl)amino]-3-fluoro-phenyl]carbamoyl]-3-methyl-1H-benzimidazol-2-ylidene]pyrrol-3-yl]amino]-3-oxo-propyl]-dimethyl-sulfonium iodide CAS Name: [3-[[(5Z)-5-[6-[[4-[bis(2-chloroethyl)amino]-3-fluoroanilino]-oxomethyl]-3-methyl-1H-benzimidazol-2-ylidene]-3-pyrrolyl]amino]-3-oxopropyl]-dimethylsulfonium iodide IUPAC Name: [3-[[(5Z)-5-[6-[[4-[bis(2-chloroethyl)amino]-3-fluorophenyl]carbamoyl]-3-methyl-1H-benzimidazol-2-ylidene]pyrrol-3-yl]amino]-3-oxopropyl]-dimethylsulfanium iodide Traditional Name: [3-[[(5Z)-5-[6-[[4-[bis(2-chloroethyl)amino]-3-fluoro-phenyl]carbamoyl]-3-methyl-1H-benzimidazol-2-ylidene]pyrrol-3-yl]amino]-3-keto-propyl]-dimethyl-sulfonium iodide Formula: C28H32Cl2FIN6O2S MolecularWeight: 733.466553

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N(CCCl)CCCl)F)NC1=C4C=C(C=N4)NC(=O)CC[S+](C)C.[I-]

Isomeric SMILES

CN\1C2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)N(CCCl)CCCl)F)N/C1=C/4\C=C(C=N4)NC(=O)CC[S+](C)C.[I-]

InChI

InChI=1S/C28H31Cl2FN6O2S.HI/c1-36-25-6-4-18(28(39)34-19-5-7-24(21(31)15-19)37(11-9-29)12-10-30)14-22(25)35-27(36)23-16-20(17-32-23)33-26(38)8-13-40(2)3;/h4-7,14-17H,8-13H2,1-3H3,(H2-,32,33,34,35,38,39);1H