3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-phenethyl-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-(4-phenyl-1-piperazinyl)methyl]-3-phenethyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-phenethyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H26N4O2S MolecularWeight: 470.58594

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=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-25(30-17-15-29(16-18-30)22-9-5-2-6-10-22)21-11-12-23-24(19-21)28-27(34)31(26(23)33)14-13-20-7-3-1-4-8-20/h1-12,19H,13-18H2,(H,28,34)