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

Systemtic Name: methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-ethyl-6-methyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-ethyl-6-methylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-ethyl-6-methyl-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC2=C(C3=C(S2)CCC3)C(=O)OC)C

InChI

InChI=1S/C19H22N2O2S2/c1-4-12-8-5-7-11(2)16(12)20-19(24)21-17-15(18(22)23-3)13-9-6-10-14(13)25-17/h5,7-8H,4,6,9-10H2,1-3H3,(H2,20,21,24)