2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: 2-[(6-methyl-2-phenyl-4-quinazolinyl)thio]-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(6-methyl-2-phenylquinazolin-4-yl)sulfanyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(6-methyl-2-phenyl-quinazolin-4-yl)thio]-N-[4-(3-methylpiperidino)sulfonylphenyl]acetamide Formula: C29H30N4O3S2 MolecularWeight: 546.7035

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=NC4=C3C=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC(=NC4=C3C=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3S2/c1-20-10-15-26-25(17-20)29(32-28(31-26)22-8-4-3-5-9-22)37-19-27(34)30-23-11-13-24(14-12-23)38(35,36)33-16-6-7-21(2)18-33/h3-5,8-15,17,21H,6-7,16,18-19H2,1-2H3,(H,30,34)