methyl 2-[bis(phenylmethyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[bis(phenylmethyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(dibenzylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(dibenzylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(dibenzylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C24H24N2O2S2 MolecularWeight: 436.58956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2S2/c1-28-23(27)21-19-13-8-14-20(19)30-22(21)25-24(29)26(15-17-9-4-2-5-10-17)16-18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,25,29)