methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[allyl(2-thienylmethyl)amino]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[2-[allyl(2-thenyl)amino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N(CC=C)CC3=CC=CS3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)N(CC=C)CC3=CC=CS3

InChI

InChI=1S/C24H27N3O4S2/c1-5-10-26(14-18-7-6-11-32-18)21(28)15-33-24-25-20-12-17(23(30)31-4)8-9-19(20)22(29)27(24)13-16(2)3/h5-9,11-12,16H,1,10,13-15H2,2-4H3