2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N-[2-(1-cyclohexenyl)ethyl]-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N-[2-(cyclohexen-1-yl)ethyl]-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C30H34ClN3O2S MolecularWeight: 536.12786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCC4=CCCCC4)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C30H34ClN3O2S/c31-24-11-7-10-22(18-24)20-37-30-33-27-19-23(28(35)32-17-16-21-8-3-1-4-9-21)14-15-26(27)29(36)34(30)25-12-5-2-6-13-25/h7-8,10-11,14-15,18-19,25H,1-6,9,12-13,16-17,20H2,(H,32,35)