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

Systemtic Name: 4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]-3-nitro-benzamide Formula: C17H14N4O4S2 MolecularWeight: 402.44746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S2/c1-9-3-2-4-13-15(9)20-17(27-13)19-14(22)8-26-12-6-5-10(16(18)23)7-11(12)21(24)25/h2-7H,8H2,1H3,(H2,18,23)(H,19,20,22)