methyl 4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamothioylamino]butanoate CAS Name: 4-[[[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)carbamothioylamino]butanoate Traditional Name: 4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)thiocarbamoylamino]butyric acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC2=C(C=C1)NC(=O)CC2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC2=C(C=C1)NC(=O)CC2

InChI

InChI=1S/C15H19N3O3S/c1-21-14(20)3-2-8-16-15(22)17-11-5-6-12-10(9-11)4-7-13(19)18-12/h5-6,9H,2-4,7-8H2,1H3,(H,18,19)(H2,16,17,22)