4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H14BrN3O4S MolecularWeight: 424.26906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])Br

InChI

InChI=1S/C16H14BrN3O4S/c1-9-6-11(3-4-12(9)17)19-15(21)8-25-14-5-2-10(16(18)22)7-13(14)20(23)24/h2-7H,8H2,1H3,(H2,18,22)(H,19,21)