N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-phenacylsulfanyl-3-phenyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-(phenacylthio)-3-phenyl-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-phenacylsulfanyl-3-phenylquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-(phenacylthio)-3-phenyl-quinazoline-7-carboxamide Formula: C31H29N3O3S MolecularWeight: 523.64526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N3O3S/c35-28(23-12-6-2-7-13-23)21-38-31-33-27-20-24(29(36)32-19-18-22-10-4-1-5-11-22)16-17-26(27)30(37)34(31)25-14-8-3-9-15-25/h2-3,6-10,12-17,20H,1,4-5,11,18-19,21H2,(H,32,36)