2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-4-one Formula: C29H35N5O3S MolecularWeight: 533.6849

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H35N5O3S/c1-22-11-14-32(15-12-22)27(36)21-38-29-30-25-10-6-5-9-24(25)28(37)34(29)16-13-26(35)33-19-17-31(18-20-33)23-7-3-2-4-8-23/h2-10,22H,11-21H2,1H3