N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-(phenylcarbamothioylamino)-N-(p-tolyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(4-methylphenyl)-2-(phenylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-(phenylthiocarbamoylamino)-N-(p-tolyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCC3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N3OS2/c1-14-10-12-16(13-11-14)23-20(26)19-17-8-5-9-18(17)28-21(19)25-22(27)24-15-6-3-2-4-7-15/h2-4,6-7,10-13H,5,8-9H2,1H3,(H,23,26)(H2,24,25,27)