2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C26H24N4O3S2 MolecularWeight: 504.62376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H24N4O3S2/c31-23(28-12-14-29(15-13-28)25(33)22-11-6-16-34-22)18-35-26-27-21-10-5-4-9-20(21)24(32)30(26)17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2