7-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-pentyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(4-methylpiperazin-4-ium-1-yl)carbonyl-3-pentyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-3-pentyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-3-pentyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-methylpiperazin-4-ium-1-carbonyl)-3-pentyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-amyl-7-(4-methylpiperazin-4-ium-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C19H27N4O2S+ MolecularWeight: 375.50828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C)NC1=S

InChI

InChI=1S/C19H26N4O2S/c1-3-4-5-8-23-18(25)15-7-6-14(13-16(15)20-19(23)26)17(24)22-11-9-21(2)10-12-22/h6-7,13H,3-5,8-12H2,1-2H3,(H,20,26)/p+1