2-[(3-chlorophenyl)methylsulfanyl]-N,3-dicyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,3-dicyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,3-dicyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-N,3-dicyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-N,3-dicyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-N,3-dicyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C28H32ClN3O2S MolecularWeight: 510.09058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)Cl)C5CCCCC5

InChI

InChI=1S/C28H32ClN3O2S/c29-21-9-7-8-19(16-21)18-35-28-31-25-17-20(26(33)30-22-10-3-1-4-11-22)14-15-24(25)27(34)32(28)23-12-5-2-6-13-23/h7-9,14-17,22-23H,1-6,10-13,18H2,(H,30,33)