4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: 4-oxo-2-(phenacylthio)-3-phenethyl-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C32H27N3O3S MolecularWeight: 533.64008

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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=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=C4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H27N3O3S/c36-29(25-14-8-3-9-15-25)22-39-32-34-28-20-26(30(37)33-21-24-12-6-2-7-13-24)16-17-27(28)31(38)35(32)19-18-23-10-4-1-5-11-23/h1-17,20H,18-19,21-22H2,(H,33,37)