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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-oxo-3-pentyl-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-amyl-N-(3-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=C3)Cl)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)Cl)N=C1SCC(=O)C4=CC=CC=C4

InChI

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