methyl N-[[4-(cyclohexylmethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[4-(cyclohexylmethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(cyclohexylmethylsulfanyl)-2-nitro-phenyl]carbamothioyl]carbamate CAS Name: N-[[4-(cyclohexylmethylthio)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(cyclohexylmethylsulfanyl)-2-nitrophenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(cyclohexylmethylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H21N3O4S2 MolecularWeight: 383.48564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N3O4S2/c1-23-16(20)18-15(24)17-13-8-7-12(9-14(13)19(21)22)25-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,17,18,20,24)