N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]-3-nitro-benzamide Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-10-4-2-7-13-15(10)20-17(26-13)19-14(22)9-18-16(23)11-5-3-6-12(8-11)21(24)25/h2-8H,9H2,1H3,(H,18,23)(H,19,20,22)