N-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(4-acetamidoanilino)-2-oxo-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(1-pyrrolyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(4-acetamidoanilino)-2-keto-ethyl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC3=C(C=C2)N=C(S3)N4C=CC=C4

InChI

InChI=1S/C22H19N5O3S/c1-14(28)24-16-5-7-17(8-6-16)25-20(29)13-23-21(30)15-4-9-18-19(12-15)31-22(26-18)27-10-2-3-11-27/h2-12H,13H2,1H3,(H,23,30)(H,24,28)(H,25,29)