N-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide

Systemtic Name: N-cyclohexyl-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-cyclohexyl-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-cyclohexyl-4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-cyclohexyl-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-cyclohexyl-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C31H31N3O3S MolecularWeight: 525.66114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c35-28(23-12-6-2-7-13-23)21-38-31-33-27-20-24(29(36)32-25-14-8-3-9-15-25)16-17-26(27)30(37)34(31)19-18-22-10-4-1-5-11-22/h1-2,4-7,10-13,16-17,20,25H,3,8-9,14-15,18-19,21H2,(H,32,36)