methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(3-methylbutylsulfinyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(3-methylbutylsulfinyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[4-isopentylsulfinyl-2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(methoxycarbonylamino)-sulfanylidenemethyl]amino]-4-(3-methylbutylsulfinyl)anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(methoxycarbonylcarbamothioylamino)-4-(3-methylbutylsulfinyl)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbomethoxythiocarbamoylamino)-4-isoamylsulfinyl-phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C17H24N4O5S3 MolecularWeight: 460.59126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O5S3/c1-10(2)7-8-29(24)11-5-6-12(18-14(27)20-16(22)25-3)13(9-11)19-15(28)21-17(23)26-4/h5-6,9-10H,7-8H2,1-4H3,(H2,18,20,22,27)(H2,19,21,23,28)