ethyl 2-(prop-2-enylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 2-(prop-2-enylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 2-(allylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(prop-2-enylcarbamothioylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 2-(allylthiocarbamoylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(CCCC2)N=C1NC(=S)NCC=C

Isomeric SMILES

CCOC(=O)C1=CC2=C(CCCC2)N=C1NC(=S)NCC=C

InChI

InChI=1S/C16H21N3O2S/c1-3-9-17-16(22)19-14-12(15(20)21-4-2)10-11-7-5-6-8-13(11)18-14/h3,10H,1,4-9H2,2H3,(H2,17,18,19,22)