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

Systemtic Name: methyl N-[[2-[C-(4-methoxyphenyl)carbonimidoyl]-5-propylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(4-methoxybenzenecarboximidoyl)-5-propylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[imino-(4-methoxyphenyl)methyl]-5-(propylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-methoxybenzenecarboximidoyl)-5-propylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(4-methoxybenzimidoyl)-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)C(=N)C2=CC=C(C=C2)OC)NC(=S)NC(=O)OC

Isomeric SMILES

CCCSC1=CC(=C(C=C1)C(=N)C2=CC=C(C=C2)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C20H23N3O3S2/c1-4-11-28-15-9-10-16(17(12-15)22-19(27)23-20(24)26-3)18(21)13-5-7-14(25-2)8-6-13/h5-10,12,21H,4,11H2,1-3H3,(H2,22,23,24,27)