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

Systemtic Name: 7-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-(4-benzylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate CAS Name: 7-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(4-benzylpiperazine-1-carbonyl)-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-(4-benzylpiperazine-1-carbonyl)-2-thioxo-quinazolin-4-olate Formula: C23H23N4O2S- MolecularWeight: 419.51932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)N3CCN(CC3)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C23H24N4O2S/c1-2-10-27-22(29)19-9-8-18(15-20(19)24-23(27)30)21(28)26-13-11-25(12-14-26)16-17-6-4-3-5-7-17/h2-9,15,29H,1,10-14,16H2/p-1