3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(4-cyclohexyl-1-piperazine-1,4-diiumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(4-cyclohexylpiperazine-1,4-diium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H32N4OS+2 MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCC(CC1)[NH+]2CC[NH+](CC2)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H30N4OS/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2,(H,22,27)/p+2