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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-N-(phenylmethyl)quinazoline-7-carboxamide Openeye Name: N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-3-cyclohexyl-4-oxo-N-(phenylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-benzyl-2-[(3-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxoquinazoline-7-carboxamide Traditional Name: N-benzyl-2-[(3-chlorobenzyl)thio]-3-cyclohexyl-4-keto-quinazoline-7-carboxamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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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)N=C2SCC5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H28ClN3O2S/c30-23-11-7-10-21(16-23)19-36-29-32-26-17-22(27(34)31-18-20-8-3-1-4-9-20)14-15-25(26)28(35)33(29)24-12-5-2-6-13-24/h1,3-4,7-11,14-17,24H,2,5-6,12-13,18-19H2,(H,31,34)