methyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(p-tolylmethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)methylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-methylbenzyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C18H20N2O2S2/c1-11-6-8-12(9-7-11)10-19-18(23)20-16-15(17(21)22-2)13-4-3-5-14(13)24-16/h6-9H,3-5,10H2,1-2H3,(H2,19,20,23)