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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-phenacylsulfanyl-3-phenethyl-quinazoline-7-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-(phenacylthio)-3-phenethyl-7-quinazolinecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-phenacylsulfanyl-3-phenethylquinazoline-7-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-(phenacylthio)-3-phenethyl-quinazoline-7-carboxamide Formula: C33H33N3O3S MolecularWeight: 551.69842

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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)CCC5=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)CCC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O3S/c37-30(26-14-8-3-9-15-26)23-40-33-35-29-22-27(31(38)34-20-18-24-10-4-1-5-11-24)16-17-28(29)32(39)36(33)21-19-25-12-6-2-7-13-25/h2-3,6-10,12-17,22H,1,4-5,11,18-21,23H2,(H,34,38)