3-[2-(1H-indol-3-yl)ethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2-(1H-indol-3-yl)ethyl]-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-(1H-indol-3-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-(1H-indol-3-yl)ethyl]-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-(1H-indol-3-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-(1H-indol-3-yl)ethyl]-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C29H27N5O2S MolecularWeight: 509.62198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H27N5O2S/c35-27(33-16-14-32(15-17-33)22-6-2-1-3-7-22)20-10-11-24-26(18-20)31-29(37)34(28(24)36)13-12-21-19-30-25-9-5-4-8-23(21)25/h1-11,18-19,30H,12-17H2,(H,31,37)