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

Systemtic Name: 4-[2-[(4-acetamido-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-acetamido-3-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-acetamido-3-methylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-acetamido-3-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-acetamido-3-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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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-])NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-10-7-13(4-5-14(10)20-11(2)23)21-17(24)9-28-16-6-3-12(18(19)25)8-15(16)22(26)27/h3-8H,9H2,1-2H3,(H2,19,25)(H,20,23)(H,21,24)