3-(1,3-benzodioxol-5-ylmethyl)-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[2-(diethylammonio)ethylcarbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[[2-(diethylammonio)ethylamino]-oxomethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[2-(diethylazaniumyl)ethylcarbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 7-[2-(diethylammonio)ethylcarbamoyl]-3-piperonyl-2-thioxo-quinazolin-4-olate Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H26N4O4S/c1-3-26(4-2)10-9-24-21(28)16-6-7-17-18(12-16)25-23(32)27(22(17)29)13-15-5-8-19-20(11-15)31-14-30-19/h5-8,11-12,29H,3-4,9-10,13-14H2,1-2H3,(H,24,28)