methyl 4-ethyl-5-methyl-2-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[(1R)-1-phenylethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[(1R)-1-phenylethyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[(1R)-1-phenylethyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)N[C@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O2S2/c1-5-14-12(3)24-16(15(14)17(21)22-4)20-18(23)19-11(2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H2,19,20,23)/t11-/m1/s1