7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-3-propyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-propyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-3-propyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-propyl-2-thioxo-1H-quinazolin-4-one Formula: C22H31N4O2S+ MolecularWeight: 415.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)NC1=S

InChI

InChI=1S/C22H30N4O2S/c1-2-10-26-21(28)18-9-8-16(15-19(18)23-22(26)29)20(27)25-13-11-24(12-14-25)17-6-4-3-5-7-17/h8-9,15,17H,2-7,10-14H2,1H3,(H,23,29)/p+1