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

Systemtic Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-[6-ethyl-2-(m-tolyl)quinazolin-4-yl]sulfanyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: 2-[[6-ethyl-2-(3-methylphenyl)-4-quinazolinyl]thio]-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[[6-ethyl-2-(m-tolyl)quinazolin-4-yl]thio]-N-[4-(4-methylpiperidino)sulfonylphenyl]acetamide Formula: C31H34N4O3S2 MolecularWeight: 574.75666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C)C5=CC(=CC=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)C)C5=CC(=CC=C5)C

InChI

InChI=1S/C31H34N4O3S2/c1-4-23-8-13-28-27(19-23)31(34-30(33-28)24-7-5-6-22(3)18-24)39-20-29(36)32-25-9-11-26(12-10-25)40(37,38)35-16-14-21(2)15-17-35/h5-13,18-19,21H,4,14-17,20H2,1-3H3,(H,32,36)