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

Systemtic Name: phenethyl 4-(3,4-dihydro-2H-quinolin-1-ylcarbothioylamino)-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-quinoline-1-carbothioylamino)-4-keto-butyric acid phenethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3S/c25-20(12-13-21(26)27-16-14-17-7-2-1-3-8-17)23-22(28)24-15-6-10-18-9-4-5-11-19(18)24/h1-5,7-9,11H,6,10,12-16H2,(H,23,25,28)