2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid

Systemtic Name: 2-[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazoline-7-carboxylic acid Openeye Name: 3-allyl-2-[2-(4-butylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[2-(4-butylanilino)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinecarboxylic acid IUPAC Name: 2-[2-(4-butylanilino)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carboxylic acid Traditional Name: 3-allyl-2-[[2-(4-butylanilino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC=C

InChI

InChI=1S/C24H25N3O4S/c1-3-5-6-16-7-10-18(11-8-16)25-21(28)15-32-24-26-20-14-17(23(30)31)9-12-19(20)22(29)27(24)13-4-2/h4,7-12,14H,2-3,5-6,13,15H2,1H3,(H,25,28)(H,30,31)