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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CCC4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)CCC4=CC=CC=C4

InChI

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