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

Systemtic Name: 3-[1-[4-(diphenylmethyl)piperazin-1-yl]pentan-3-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-benzhydrylpiperazin-1-yl)-1-ethyl-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[4-(diphenylmethyl)-1-piperazinyl]pentan-3-yl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-(4-benzhydrylpiperazin-1-yl)pentan-3-yl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-benzhydrylpiperazino)-1-ethyl-propyl]-2-thioxo-1H-quinazolin-4-one Formula: C30H34N4OS MolecularWeight: 498.68216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

CCC(CCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C30H34N4OS/c1-2-25(34-29(35)26-15-9-10-16-27(26)31-30(34)36)17-18-32-19-21-33(22-20-32)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-16,25,28H,2,17-22H2,1H3,(H,31,36)