methyl 2-[[4-[(2R)-butan-2-yl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(2R)-butan-2-yl]phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[(1R)-1-methylpropyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(2R)-butan-2-yl]anilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2R)-butan-2-yl]phenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[(1R)-1-methylpropyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)C(C)CC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)[C@H](C)CC)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-5-12(3)13-7-9-14(10-8-13)20-19(24)21-17-16(18(22)23-4)11-15(6-2)25-17/h7-12H,5-6H2,1-4H3,(H2,20,21,24)/t12-/m1/s1