methyl 2-[(4-methoxyphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methoxyphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-[(4-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-4-(2-methylpropyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)carbamothioylamino]-4-(2-methylpropyl)thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[(4-methoxyphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O3S2/c1-11(2)9-12-10-25-16(15(12)17(21)23-4)20-18(24)19-13-5-7-14(22-3)8-6-13/h5-8,10-11H,9H2,1-4H3,(H2,19,20,24)