2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-4-oxo-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxamide Traditional Name: N-benzyl-2-[(3-chlorobenzyl)thio]-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C31H26ClN3O2S MolecularWeight: 540.07504

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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=C4)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=C4)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H26ClN3O2S/c32-26-13-7-12-24(18-26)21-38-31-34-28-19-25(29(36)33-20-23-10-5-2-6-11-23)14-15-27(28)30(37)35(31)17-16-22-8-3-1-4-9-22/h1-15,18-19H,16-17,20-21H2,(H,33,36)