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

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2,5-dimethylphenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H20N2O2S2 MolecularWeight: 360.4936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2S2/c1-10-7-8-11(2)13(9-10)19-18(23)20-16-15(17(21)22-3)12-5-4-6-14(12)24-16/h7-9H,4-6H2,1-3H3,(H2,19,20,23)