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

Systemtic Name: ethyl 2-(phenylcarbamothioylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 2-(phenylcarbamothioylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(phenylcarbamothioylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-(phenylthiocarbamoylamino)-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-3-11-23-12-10-15-16(13-23)27-18(17(15)19(24)25-4-2)22-20(26)21-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H2,21,22,26)