methyl 4-[(4-methylsulfanyl-1-oxidanylidene-1-propan-2-yloxy-butan-2-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-methylsulfanyl-1-oxidanylidene-1-propan-2-yloxy-butan-2-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(1-isopropoxycarbonyl-3-methylsulfanyl-propyl)carbamothioylamino]benzoate CAS Name: 4-[[[[4-(methylthio)-1-oxo-1-propan-2-yloxybutan-2-yl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylsulfanyl-1-oxo-1-propan-2-yloxybutan-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[[1-isopropoxycarbonyl-3-(methylthio)propyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C17H24N2O4S2 MolecularWeight: 384.51346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C17H24N2O4S2/c1-11(2)23-16(21)14(9-10-25-4)19-17(24)18-13-7-5-12(6-8-13)15(20)22-3/h5-8,11,14H,9-10H2,1-4H3,(H2,18,19,24)