methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(phenylmethylsulfanyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-benzylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(phenylmethylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-benzylsulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[4-(benzylthio)-2-(carbomethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C19H20N4O4S3 MolecularWeight: 464.5815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC2=CC=CC=C2)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SCC2=CC=CC=C2)NC(=S)NC(=O)OC

InChI

InChI=1S/C19H20N4O4S3/c1-26-18(24)22-16(28)20-14-9-8-13(30-11-12-6-4-3-5-7-12)10-15(14)21-17(29)23-19(25)27-2/h3-10H,11H2,1-2H3,(H2,20,22,24,28)(H2,21,23,25,29)