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

Systemtic Name: methyl N-[(4-cyclopentylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate Openeye Name: methyl N-[(4-cyclopentylsulfanyl-2-nitro-phenyl)carbamothioyl]carbamate CAS Name: N-[[4-(cyclopentylthio)-2-nitroanilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[(4-cyclopentylsulfanyl-2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[[4-(cyclopentylthio)-2-nitro-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H17N3O4S2 MolecularWeight: 355.43248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S2/c1-21-14(18)16-13(22)15-11-7-6-10(8-12(11)17(19)20)23-9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H2,15,16,18,22)