3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-thioxo-7-(trifluoromethyl)-1H-quinazolin-4-one CAS Name: 3-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-sulfanylidene-7-(trifluoromethyl)-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzhydrylpiperazino)propyl]-2-thioxo-7-(trifluoromethyl)-1H-quinazolin-4-one Formula: C29H29F3N4OS MolecularWeight: 538.62697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3=C(C=C(C=C3)C(F)(F)F)NC2=S)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3=C(C=C(C=C3)C(F)(F)F)NC2=S)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29F3N4OS/c30-29(31,32)23-12-13-24-25(20-23)33-28(38)36(27(24)37)15-7-14-34-16-18-35(19-17-34)26(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-13,20,26H,7,14-19H2,(H,33,38)