3-(3-methoxypropyl)-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-methoxypropyl)-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-methoxypropyl)-2-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methoxypropyl)-2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methoxypropyl)-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC

InChI

InChI=1S/C26H32N4O3S/c1-20-7-5-8-21(17-20)18-28-12-14-29(15-13-28)24(31)19-34-26-27-23-10-4-3-9-22(23)25(32)30(26)11-6-16-33-2/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3