7-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-phenethylpiperazin-4-ium-1-carbonyl)-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H26N4O2S/c1-2-11-28-23(30)20-9-8-19(17-21(20)25-24(28)31)22(29)27-15-13-26(14-16-27)12-10-18-6-4-3-5-7-18/h2-9,17,30H,1,10-16H2