3-phenylpropyl 4-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-oxo-butanoate CAS Name: 4-[[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O3S/c26-21(14-15-22(27)28-17-7-10-18-8-2-1-3-9-18)24-23(29)25-16-6-12-19-11-4-5-13-20(19)25/h1-5,8-9,11,13H,6-7,10,12,14-17H2,(H,24,26,29)