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

Systemtic Name: ethyl 6-phenethyl-3-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate Openeye Name: ethyl 6-phenethyl-3-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-6-phenethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-phenethyl-3-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylate Traditional Name: 6-phenethyl-3-(phenylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxylic acid ethyl ester Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CN(CC2)CCC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CN(CC2)CCC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S2/c1-2-30-24(29)23-22(27-25(31)26-19-11-7-4-8-12-19)20-14-16-28(17-21(20)32-23)15-13-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3,(H2,26,27,31)