N-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4)Cl

InChI

InChI=1S/C21H17ClN4O2S/c22-16-6-2-1-5-15(16)12-23-19(27)13-24-20(28)14-7-8-17-18(11-14)29-21(25-17)26-9-3-4-10-26/h1-11H,12-13H2,(H,23,27)(H,24,28)