2-[bis(2-chloroethyl)amino]-3-chloranyl-5-[2-[1-methyl-4-(3-methylsulfanylpropanoylamino)pyrrol-2-yl]-2,3-dihydrobenzimidazol-1-yl]benzamide

Systemtic Name: 2-[bis(2-chloroethyl)amino]-3-chloranyl-5-[2-[1-methyl-4-(3-methylsulfanylpropanoylamino)pyrrol-2-yl]-2,3-dihydrobenzimidazol-1-yl]benzamide Openeye Name: 2-[bis(2-chloroethyl)amino]-3-chloro-5-[2-[1-methyl-4-(3-methylsulfanylpropanoylamino)pyrrol-2-yl]-2,3-dihydrobenzimidazol-1-yl]benzamide CAS Name: 2-[bis(2-chloroethyl)amino]-3-chloro-5-[2-[1-methyl-4-[[3-(methylthio)-1-oxopropyl]amino]-2-pyrrolyl]-2,3-dihydrobenzimidazol-1-yl]benzamide IUPAC Name: 2-[bis(2-chloroethyl)amino]-3-chloro-5-[2-[1-methyl-4-(3-methylsulfanylpropanoylamino)pyrrol-2-yl]-2,3-dihydrobenzimidazol-1-yl]benzamide Traditional Name: 2-[bis(2-chloroethyl)amino]-3-chloro-5-[2-[1-methyl-4-[3-(methylthio)propanoylamino]pyrrol-2-yl]-2,3-dihydrobenzimidazol-1-yl]benzamide Formula: C27H31Cl3N6O2S MolecularWeight: 609.99804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C2NC3=CC=CC=C3N2C4=CC(=C(C(=C4)C(=O)N)N(CCCl)CCCl)Cl)NC(=O)CCSC

Isomeric SMILES

CN1C=C(C=C1C2NC3=CC=CC=C3N2C4=CC(=C(C(=C4)C(=O)N)N(CCCl)CCCl)Cl)NC(=O)CCSC

InChI

InChI=1S/C27H31Cl3N6O2S/c1-34-16-17(32-24(37)7-12-39-2)13-23(34)27-33-21-5-3-4-6-22(21)36(27)18-14-19(26(31)38)25(20(30)15-18)35(10-8-28)11-9-29/h3-6,13-16,27,33H,7-12H2,1-2H3,(H2,31,38)(H,32,37)