methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-3-butyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c1-3-4-12-26-21(28)18-11-10-17(22(29)30-2)13-19(18)25-23(26)31-15-20(27)24-14-16-8-6-5-7-9-16/h5-11,13H,3-4,12,14-15H2,1-2H3,(H,24,27)