2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-dicyclohexyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-dicyclohexyl-acetamide CAS Name: 2-[[3-(3-chloro-4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N,N-dicyclohexylacetamide IUPAC Name: 2-[3-(3-chloro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dicyclohexylacetamide Traditional Name: 2-[[3-(3-chloro-4-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N,N-dicyclohexyl-acetamide Formula: C29H34ClN3O2S MolecularWeight: 524.11716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C4CCCCC4)C5CCCCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C4CCCCC4)C5CCCCC5)Cl

InChI

InChI=1S/C29H34ClN3O2S/c1-20-16-17-23(18-25(20)30)33-28(35)24-14-8-9-15-26(24)31-29(33)36-19-27(34)32(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h8-9,14-18,21-22H,2-7,10-13,19H2,1H3