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

Systemtic Name: N-cyclohexyl-2-(6-morpholin-4-yl-4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-cyclohexyl-2-(6-morpholino-4-oxo-3-phenethyl-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-cyclohexyl-2-[[6-(4-morpholinyl)-4-oxo-3-phenethyl-2-quinazolinyl]thio]butanamide IUPAC Name: N-cyclohexyl-2-(6-morpholin-4-yl-4-oxo-3-phenethylquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-cyclohexyl-2-[(4-keto-6-morpholino-3-phenethyl-quinazolin-2-yl)thio]butyramide Formula: C30H38N4O3S MolecularWeight: 534.71272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CCCCC1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1CCCCC1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C30H38N4O3S/c1-2-27(28(35)31-23-11-7-4-8-12-23)38-30-32-26-14-13-24(33-17-19-37-20-18-33)21-25(26)29(36)34(30)16-15-22-9-5-3-6-10-22/h3,5-6,9-10,13-14,21,23,27H,2,4,7-8,11-12,15-20H2,1H3,(H,31,35)