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

Systemtic Name: methyl N-[[4-(4-chlorophenyl)sulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-(4-chlorophenyl)sulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[4-[(4-chlorophenyl)thio]-2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[4-(4-chlorophenyl)sulfanyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-[(4-chlorophenyl)thio]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C18H17ClN4O4S3 MolecularWeight: 484.99998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=S)NC(=O)OC

Isomeric SMILES

COC(=O)NC(=S)NC1=C(C=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=S)NC(=O)OC

InChI

InChI=1S/C18H17ClN4O4S3/c1-26-17(24)22-15(28)20-13-8-7-12(30-11-5-3-10(19)4-6-11)9-14(13)21-16(29)23-18(25)27-2/h3-9H,1-2H3,(H2,20,22,24,28)(H2,21,23,25,29)