6,7-diethoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-diethoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6,7-diethoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6,7-diethoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6,7-diethoxy-3-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H32N4O3S+2 MolecularWeight: 408.55808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CC[NH+](CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)CCC[NH+]3CC[NH+](CC3)C)OCC

InChI

InChI=1S/C20H30N4O3S/c1-4-26-17-13-15-16(14-18(17)27-5-2)21-20(28)24(19(15)25)8-6-7-23-11-9-22(3)10-12-23/h13-14H,4-12H2,1-3H3,(H,21,28)/p+2