3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-yl)carbonylphenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(4-cyclohexylpiperazin-4-ium-1-carbonyl)phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C25H28N4O2S/c30-23(28-16-14-27(15-17-28)19-6-2-1-3-7-19)18-10-12-20(13-11-18)29-24(31)21-8-4-5-9-22(21)26-25(29)32/h4-5,8-13,19H,1-3,6-7,14-17H2,(H,26,32)/p+1