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

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-(2-methoxyethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-3-(2-methoxyethyl)-2-thioxo-1H-quinazolin-4-one Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)NC1=S

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)NC1=S

InChI

InChI=1S/C22H30N4O3S/c1-29-14-13-26-21(28)18-8-7-16(15-19(18)23-22(26)30)20(27)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14H2,1H3,(H,23,30)/p+1