N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-(3-chlorobenzyl)-2-[(3-chlorobenzyl)thio]-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C29H27Cl2N3O2S MolecularWeight: 552.51458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC(=CC=C4)Cl)N=C2SCC5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H27Cl2N3O2S/c30-22-8-4-6-19(14-22)17-32-27(35)21-12-13-25-26(16-21)33-29(37-18-20-7-5-9-23(31)15-20)34(28(25)36)24-10-2-1-3-11-24/h4-9,12-16,24H,1-3,10-11,17-18H2,(H,32,35)