3-[(4-chlorophenyl)methyl]-7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(4-chlorophenyl)methyl]-7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(4-chlorophenyl)methyl]-7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(4-chlorophenyl)methyl]-7-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(4-chlorophenyl)methyl]-7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(4-chlorobenzyl)-7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C26H30ClN4O2S+ MolecularWeight: 498.06

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H29ClN4O2S/c27-20-9-6-18(7-10-20)17-31-25(33)22-11-8-19(16-23(22)28-26(31)34)24(32)30-14-12-29(13-15-30)21-4-2-1-3-5-21/h6-11,16,21H,1-5,12-15,17H2,(H,28,34)/p+1