N-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide

Systemtic Name: N-[2-[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-pyrrolidin-1-ylcarbonyl-benzamide Openeye Name: N-[2-[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide CAS Name: N-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-[oxo(1-pyrrolidinyl)methyl]benzamide IUPAC Name: N-[2-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Traditional Name: N-[2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-2-(pyrrolidine-1-carbonyl)benzamide Formula: C28H25ClN4O3S2 MolecularWeight: 565.1061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25ClN4O3S2/c1-17-8-9-18(29)14-23(17)31-25(34)16-37-28-32-22-11-10-19(15-24(22)38-28)30-26(35)20-6-2-3-7-21(20)27(36)33-12-4-5-13-33/h2-3,6-11,14-15H,4-5,12-13,16H2,1H3,(H,30,35)(H,31,34)