1-(azepan-1-yl)-2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-propan-1-one CAS Name: 1-(1-azepanyl)-2-[(6-methyl-2-phenyl-4-quinazolinyl)thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylpropan-1-one Traditional Name: 1-(azepan-1-yl)-2-[(6-methyl-2-phenyl-quinazolin-4-yl)thio]propan-1-one Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SC(C)C(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SC(C)C(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3OS/c1-17-12-13-21-20(16-17)23(26-22(25-21)19-10-6-5-7-11-19)29-18(2)24(28)27-14-8-3-4-9-15-27/h5-7,10-13,16,18H,3-4,8-9,14-15H2,1-2H3