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

Systemtic Name: 2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 3-isopropyl-2-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 3-isopropyl-2-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

InChI

InChI=1S/C25H30N4O2S/c1-18(2)29-24(31)21-9-4-5-10-22(21)26-25(29)32-17-23(30)28-13-11-27(12-14-28)16-20-8-6-7-19(3)15-20/h4-10,15,18H,11-14,16-17H2,1-3H3