7-(4-methylpiperazin-1-yl)carbonyl-3-pentyl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 7-(4-methylpiperazin-1-yl)carbonyl-3-pentyl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 7-[(4-methyl-1-piperazinyl)-oxomethyl]-3-pentyl-2-(phenacylthio)-4-quinazolinone IUPAC Name: 7-(4-methylpiperazine-1-carbonyl)-3-pentyl-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-amyl-7-(4-methylpiperazine-1-carbonyl)-2-(phenacylthio)quinazolin-4-one Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O3S/c1-3-4-8-13-31-26(34)22-12-11-21(25(33)30-16-14-29(2)15-17-30)18-23(22)28-27(31)35-19-24(32)20-9-6-5-7-10-20/h5-7,9-12,18H,3-4,8,13-17,19H2,1-2H3