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

Systemtic Name: 2-[2-[ethyl(phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: 3-benzyl-2-[2-(N-ethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(N-ethylanilino)-2-oxoethyl]thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylate IUPAC Name: 3-benzyl-2-[2-(N-ethylanilino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-2-[[2-(N-ethylanilino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylate Formula: C26H22N3O4S- MolecularWeight: 472.53558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)[O-])C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O4S/c1-2-28(20-11-7-4-8-12-20)23(30)17-34-26-27-22-15-19(25(32)33)13-14-21(22)24(31)29(26)16-18-9-5-3-6-10-18/h3-15H,2,16-17H2,1H3,(H,32,33)/p-1