methyl 6-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]hexanoate

Systemtic Name: methyl 6-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]hexanoate Openeye Name: methyl 6-[(3-allyl-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]hexanoate CAS Name: 6-[[oxo-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]hexanoate Traditional Name: 6-[(3-allyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]hexanoic acid methyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC=C

InChI

InChI=1S/C19H23N3O4S/c1-3-11-22-18(25)14-9-8-13(12-15(14)21-19(22)27)17(24)20-10-6-4-5-7-16(23)26-2/h3,8-9,12H,1,4-7,10-11H2,2H3,(H,20,24)(H,21,27)