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

Systemtic Name: ethyl 3-(phenylcarbamothioylamino)-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate Openeye Name: ethyl 5-benzyl-3-(phenylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-5-(phenylmethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-3-(phenylcarbamothioylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate Traditional Name: 5-benzyl-3-(phenylthiocarbamoylamino)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid ethyl ester Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)CCN(C2)CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)CCN(C2)CC3=CC=CC=C3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S2/c1-2-29-23(28)22-21(26-24(30)25-18-11-7-4-8-12-18)19-16-27(14-13-20(19)31-22)15-17-9-5-3-6-10-17/h3-12H,2,13-16H2,1H3,(H2,25,26,30)