methyl N-[[2-(C-phenylcarbonimidoyl)-5-propylsulfanyl-phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(C-phenylcarbonimidoyl)-5-propylsulfanyl-phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(benzenecarboximidoyl)-5-propylsulfanyl-phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[imino(phenyl)methyl]-5-(propylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(benzenecarboximidoyl)-5-propylsulfanylphenyl]carbamothioyl]carbamate Traditional Name: N-[[2-benzimidoyl-5-(propylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-3-11-26-14-9-10-15(17(20)13-7-5-4-6-8-13)16(12-14)21-18(25)22-19(23)24-2/h4-10,12,20H,3,11H2,1-2H3,(H2,21,22,23,25)