N-[(2-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-(2-chlorobenzyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O3S/c1-2-3-9-16-33-28(36)23-15-14-21(27(35)31-18-22-12-7-8-13-24(22)30)17-25(23)32-29(33)37-19-26(34)20-10-5-4-6-11-20/h4-8,10-15,17H,2-3,9,16,18-19H2,1H3,(H,31,35)