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

Systemtic Name: N-[2-[(3-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylamino]-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-[(3-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=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CN(C=C1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC(=O)NCC4=CC(=CC=C4)Cl

InChI

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