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

Systemtic Name: N-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C32H26ClN3O3S MolecularWeight: 568.08514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4Cl)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H26ClN3O3S/c33-27-14-8-7-13-25(27)20-34-30(38)24-15-16-26-28(19-24)35-32(40-21-29(37)23-11-5-2-6-12-23)36(31(26)39)18-17-22-9-3-1-4-10-22/h1-16,19H,17-18,20-21H2,(H,34,38)