methyl N-[[5-(4-methylphenyl)sulfanyl-2-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[5-(4-methylphenyl)sulfanyl-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-nitro-5-(p-tolylsulfanyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-[(4-methylphenyl)thio]-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-(4-methylphenyl)sulfanyl-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[2-nitro-5-(p-tolylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H15N3O4S2 MolecularWeight: 377.438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])NC(=S)NC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=C(C=C2)[N+](=O)[O-])NC(=S)NC(=O)OC

InChI

InChI=1S/C16H15N3O4S2/c1-10-3-5-11(6-4-10)25-12-7-8-14(19(21)22)13(9-12)17-15(24)18-16(20)23-2/h3-9H,1-2H3,(H2,17,18,20,24)