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

Systemtic Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]acetamide CAS Name: 2-[[6-ethyl-2-(4-fluorophenyl)-4-quinazolinyl]thio]-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]sulfanyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[[6-ethyl-2-(4-fluorophenyl)quinazolin-4-yl]thio]-N-[4-(4-methylpiperidino)sulfonylphenyl]acetamide Formula: C30H31FN4O3S2 MolecularWeight: 578.720543

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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=C(C=C5)F

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=C(C=C5)F

InChI

InChI=1S/C30H31FN4O3S2/c1-3-21-4-13-27-26(18-21)30(34-29(33-27)22-5-7-23(31)8-6-22)39-19-28(36)32-24-9-11-25(12-10-24)40(37,38)35-16-14-20(2)15-17-35/h4-13,18,20H,3,14-17,19H2,1-2H3,(H,32,36)