methyl N-[[2-[C-(4-nitrophenyl)carbonimidoyl]-5-propylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-[C-(4-nitrophenyl)carbonimidoyl]-5-propylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(4-nitrobenzenecarboximidoyl)-5-propylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[imino-(4-nitrophenyl)methyl]-5-(propylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-nitrobenzenecarboximidoyl)-5-propylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-nitrobenzimidoyl)-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)C(=N)C2=CC=C(C=C2)[N+](=O)[O-])NC(=S)NC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)C(=N)C2=CC=C(C=C2)[N+](=O)[O-])NC(=S)NC(=O)OC

InChI

InChI=1S/C19H20N4O4S2/c1-3-10-29-14-8-9-15(16(11-14)21-18(28)22-19(24)27-2)17(20)12-4-6-13(7-5-12)23(25)26/h4-9,11,20H,3,10H2,1-2H3,(H2,21,22,24,28)