2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-N-isopropyl-4-oxo-3-phenethyl-quinazoline-7-carboxamide CAS Name: 2-[(4-chlorophenyl)methylthio]-4-oxo-3-phenethyl-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-3-phenethyl-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(4-chlorobenzyl)thio]-N-isopropyl-4-keto-3-phenethyl-quinazoline-7-carboxamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O2S/c1-18(2)29-25(32)21-10-13-23-24(16-21)30-27(34-17-20-8-11-22(28)12-9-20)31(26(23)33)15-14-19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,29,32)