N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-(2-oxidanylidene-2-phenylazanyl-ethyl)benzamide

Systemtic Name: N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-(2-oxidanylidene-2-phenylazanyl-ethyl)benzamide Openeye Name: N-(2-anilino-2-oxo-ethyl)-N-methyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-anilino-2-oxoethyl)-N-methyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-anilino-2-oxoethyl)-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-anilino-2-keto-ethyl)-N-methyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C20H18N4O4S2 MolecularWeight: 442.51132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S2/c1-13-12-29-20(21-13)30-17-9-8-14(10-16(17)24(27)28)19(26)23(2)11-18(25)22-15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3,(H,22,25)