2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylate

Systemtic Name: 2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylate Openeye Name: 3-allyl-4-oxo-2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylate IUPAC Name: 2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylate Traditional Name: 3-allyl-4-keto-2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]quinazoline-7-carboxylate Formula: C22H20N3O4S- MolecularWeight: 422.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC=C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC=C

InChI

InChI=1S/C22H21N3O4S/c1-3-10-25-20(27)17-9-8-16(21(28)29)11-18(17)24-22(25)30-13-19(26)23-12-15-6-4-14(2)5-7-15/h3-9,11H,1,10,12-13H2,2H3,(H,23,26)(H,28,29)/p-1