3-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-(1H-indol-3-yl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(1H-indol-3-yl)-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-[4-(1H-indol-3-yl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=CC=CC=C32)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCC1C2=CNC3=CC=CC=C32)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C23H24N4OS/c28-22-18-6-2-4-8-21(18)25-23(29)27(22)14-13-26-11-9-16(10-12-26)19-15-24-20-7-3-1-5-17(19)20/h1-8,15-16,24H,9-14H2,(H,25,29)