ethyl 3-[(phenylmethyl)carbamothioylamino]-5,6,7,8-tetrahydroquinoline-2-carboxylate

Systemtic Name: ethyl 3-[(phenylmethyl)carbamothioylamino]-5,6,7,8-tetrahydroquinoline-2-carboxylate Openeye Name: ethyl 3-(benzylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-2-carboxylate CAS Name: 3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)-5,6,7,8-tetrahydroquinoline-2-carboxylic acid ethyl ester Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2CCCCC2=N1)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C2CCCCC2=N1)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-2-25-19(24)18-17(12-15-10-6-7-11-16(15)22-18)23-20(26)21-13-14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H2,21,23,26)