ethyl 6-phenethyl-2-(phenylcarbonylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 6-phenethyl-2-(phenylcarbonylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-(benzoylcarbamothioylamino)-6-phenethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[benzamido(sulfanylidene)methyl]amino]-6-phenethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzoylcarbamothioylamino)-6-phenethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(benzoylthiocarbamoylamino)-6-phenethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CCC3=CC=CC=C3)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c1-2-32-25(31)22-20-14-16-29(15-13-18-9-5-3-6-10-18)17-21(20)34-24(22)28-26(33)27-23(30)19-11-7-4-8-12-19/h3-12H,2,13-17H2,1H3,(H2,27,28,30,33)