3-(3-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(3-methoxyphenyl)-4-oxo-2-(phenylmethylthio)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(3-methoxyphenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-4-keto-3-(3-methoxyphenyl)-N-propyl-quinazoline-7-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C26H25N3O3S/c1-3-14-27-24(30)19-12-13-22-23(15-19)28-26(33-17-18-8-5-4-6-9-18)29(25(22)31)20-10-7-11-21(16-20)32-2/h4-13,15-16H,3,14,17H2,1-2H3,(H,27,30)