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

Systemtic Name: ethyl 6-(phenylmethyl)-2-(propan-2-ylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Openeye Name: ethyl 6-benzyl-2-(isopropylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate CAS Name: 6-(phenylmethyl)-2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2-(propan-2-ylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate Traditional Name: 6-benzyl-2-(isopropylthiocarbamoylamino)-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:

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)CC3=CC=CC=C3)NC(=S)NC(C)C

InChI

InChI=1S/C21H27N3O2S2/c1-4-26-20(25)18-16-10-11-24(12-15-8-6-5-7-9-15)13-17(16)28-19(18)23-21(27)22-14(2)3/h5-9,14H,4,10-13H2,1-3H3,(H2,22,23,27)