4-chloranyl-N-[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-[2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-[[2-(2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-[[2-keto-2-(o-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C23H18ClN3O2S2 MolecularWeight: 467.99092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN3O2S2/c1-14-4-2-3-5-18(14)26-21(28)13-30-23-27-19-11-10-17(12-20(19)31-23)25-22(29)15-6-8-16(24)9-7-15/h2-12H,13H2,1H3,(H,25,29)(H,26,28)