methyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-2-(3-phenylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-phenyl-2-(3-phenylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O2S2/c1-26-21(25)18-15-19(17-12-6-3-7-13-17)28-20(18)24-22(27)23-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15H,8,11,14H2,1H3,(H2,23,24,27)