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

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(methoxymethylsulfanyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(methoxymethylsulfanyl)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(methoxymethylthio)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(methoxymethylsulfanyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-(methoxymethylthio)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C14H18N4O5S3 MolecularWeight: 418.51152

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Descriptors Computed from Structure

Canonical SMILES:

COCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

Isomeric SMILES

COCSC1=CC(=C(C=C1)NC(=S)NC(=O)OC)NC(=S)NC(=O)OC

InChI

InChI=1S/C14H18N4O5S3/c1-21-7-26-8-4-5-9(15-11(24)17-13(19)22-2)10(6-8)16-12(25)18-14(20)23-3/h4-6H,7H2,1-3H3,(H2,15,17,19,24)(H2,16,18,20,25)