[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-(1,3-benzothiazol-2-ylmethyl)-methylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-(1,3-benzothiazol-2-ylmethyl)-methyl-ammonium Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H20N4O2S/c1-13(24)20-14-7-9-15(10-8-14)21-18(25)11-23(2)12-19-22-16-5-3-4-6-17(16)26-19/h3-10H,11-12H2,1-2H3,(H,20,24)(H,21,25)/p+1