7-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[4-(4-ethoxybenzyl)piperazine-1-carbonyl]-2-thioxo-quinazolin-4-olate Formula: C25H27N4O3S- MolecularWeight: 463.57188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC4=NC(=S)N(C(=C4C=C3)[O-])CC=C

InChI

InChI=1S/C25H28N4O3S/c1-3-11-29-24(31)21-10-7-19(16-22(21)26-25(29)33)23(30)28-14-12-27(13-15-28)17-18-5-8-20(9-6-18)32-4-2/h3,5-10,16,31H,1,4,11-15,17H2,2H3/p-1