N-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[2-(2,3-dimethylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C29H28N4O3S2 MolecularWeight: 544.68762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)N5CCCC5)C

InChI

InChI=1S/C29H28N4O3S2/c1-18-8-7-11-23(19(18)2)31-26(34)17-37-29-32-24-13-12-20(16-25(24)38-29)30-27(35)21-9-3-4-10-22(21)28(36)33-14-5-6-15-33/h3-4,7-13,16H,5-6,14-15,17H2,1-2H3,(H,30,35)(H,31,34)