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

Systemtic Name: methyl 2-[(3-methylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(m-tolylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methylanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(m-tolylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S2/c1-10-5-3-6-11(9-10)18-17(22)19-15-14(16(20)21-2)12-7-4-8-13(12)23-15/h3,5-6,9H,4,7-8H2,1-2H3,(H2,18,19,22)