3-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[3-[4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-2-methyl-quinazolin-4-one CAS Name: 3-[3-[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-3-oxopropyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[3-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-3-oxopropyl]-2-methylquinazolin-4-one Traditional Name: 3-[3-[4-(benzothiophen-3-ylmethyl)piperazino]-3-keto-propyl]-2-methyl-quinazolin-4-one Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)CC4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H26N4O2S/c1-18-26-22-8-4-2-7-21(22)25(31)29(18)11-10-24(30)28-14-12-27(13-15-28)16-19-17-32-23-9-5-3-6-20(19)23/h2-9,17H,10-16H2,1H3