ethyl 5-(phenylmethyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-isopropylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-propan-2-ylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(p-cumenylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O2S2 MolecularWeight: 438.60544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H26N2O2S2/c1-4-28-23(27)21-15-20(14-17-8-6-5-7-9-17)30-22(21)26-24(29)25-19-12-10-18(11-13-19)16(2)3/h5-13,15-16H,4,14H2,1-3H3,(H2,25,26,29)