7-methoxycarbonyl-3-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-methoxycarbonyl-3-[2-oxidanylidene-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]amino]ethyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxo-ethyl]-7-methoxycarbonyl-2-thioxo-quinazolin-4-olate CAS Name: 7-methoxycarbonyl-3-[2-oxo-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]ethyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-7-methoxycarbonyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-keto-ethyl]-7-carbomethoxy-2-thioxo-quinazolin-4-olate Formula: C24H26N4O4S MolecularWeight: 466.55264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=NC(=S)N(C(=C2C=C1)[O-])CC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-32-23(31)17-7-8-19-20(13-17)26-24(33)28(22(19)30)15-21(29)25-18-9-11-27(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,18,30H,9-12,14-15H2,1H3,(H,25,29)