methyl 2-(4-phenylbutan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(4-phenylbutan-2-ylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-methyl-3-phenyl-propyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-phenylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(4-phenylbutan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-methyl-3-phenyl-propyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N2O2S2/c1-17(13-14-18-9-5-3-6-10-18)25-24(29)26-22-21(23(27)28-2)16-20(30-22)15-19-11-7-4-8-12-19/h3-12,16-17H,13-15H2,1-2H3,(H2,25,26,29)