methyl 2-(1-pyridin-4-ylethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-pyridin-4-ylethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-pyridyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-pyridin-4-ylethylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[1-(4-pyridyl)ethylthiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S2/c1-10(11-6-8-18-9-7-11)19-17(23)20-15-14(16(21)22-2)12-4-3-5-13(12)24-15/h6-10H,3-5H2,1-2H3,(H2,19,20,23)