N-(3-methylphenyl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: 2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-N-(m-tolyl)butanamide CAS Name: N-(3-methylphenyl)-2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]butanamide IUPAC Name: N-(3-methylphenyl)-2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylbutanamide Traditional Name: 2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]-N-(m-tolyl)butyramide Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O3S/c1-3-28(29(36)32-24-11-7-8-22(2)20-24)39-31-33-27-13-12-25(34-16-18-38-19-17-34)21-26(27)30(37)35(31)15-14-23-9-5-4-6-10-23/h4-13,20-21,28H,3,14-19H2,1-2H3,(H,32,36)