ethyl 6-methyl-2-[(phenylmethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[(phenylmethyl)carbamothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-(benzylcarbamothioylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylcarbamothioylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(benzylthiocarbamoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C19H23N3O2S2 MolecularWeight: 389.53482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-3-24-18(23)16-14-9-10-22(2)12-15(14)26-17(16)21-19(25)20-11-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H2,20,21,25)