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

Systemtic Name: methyl 2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-pyridylmethyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[4-(4-pyridylmethyl)phenyl]thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C22H21N3O2S2/c1-27-21(26)19-17-3-2-4-18(17)29-20(19)25-22(28)24-16-7-5-14(6-8-16)13-15-9-11-23-12-10-15/h5-12H,2-4,13H2,1H3,(H2,24,25,28)