methyl 4-(2-methylpropyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-methylpropyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-(propylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[propylamino(sulfanylidene)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methylpropyl)-2-(propylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-(propylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C14H22N2O2S2 MolecularWeight: 314.46668

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC1=C(C(=CS1)CC(C)C)C(=O)OC

Isomeric SMILES

CCCNC(=S)NC1=C(C(=CS1)CC(C)C)C(=O)OC

InChI

InChI=1S/C14H22N2O2S2/c1-5-6-15-14(19)16-12-11(13(17)18-4)10(8-20-12)7-9(2)3/h8-9H,5-7H2,1-4H3,(H2,15,16,19)