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

Systemtic Name: ethyl 6-butyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-butyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-6-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-butyl-2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-butyl-2-(phenylthiocarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCCCN1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-3-5-12-24-13-11-16-17(14-24)28-19(18(16)20(25)26-4-2)23-21(27)22-15-9-7-6-8-10-15/h6-10H,3-5,11-14H2,1-2H3,(H2,22,23,27)