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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-isobutyl-N-isopropyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(3-chlorophenyl)methylthio]-3-(2-methylpropyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-3-(2-methylpropyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(3-chlorobenzyl)thio]-3-isobutyl-N-isopropyl-4-keto-quinazoline-7-carboxamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N=C1SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NC(C)C)N=C1SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H26ClN3O2S/c1-14(2)12-27-22(29)19-9-8-17(21(28)25-15(3)4)11-20(19)26-23(27)30-13-16-6-5-7-18(24)10-16/h5-11,14-15H,12-13H2,1-4H3,(H,25,28)