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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: 3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-oxo-2-(phenacylthio)-3-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: 3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 3-benzyl-N-(3-chlorobenzyl)-4-keto-2-(phenacylthio)quinazoline-7-carboxamide Formula: C31H24ClN3O3S MolecularWeight: 554.05856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H24ClN3O3S/c32-25-13-7-10-22(16-25)18-33-29(37)24-14-15-26-27(17-24)34-31(39-20-28(36)23-11-5-2-6-12-23)35(30(26)38)19-21-8-3-1-4-9-21/h1-17H,18-20H2,(H,33,37)