7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-allyl-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 7-[oxo-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]-3-prop-2-enyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]carbamoyl]-3-prop-2-enyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-allyl-7-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4)[O-]

Isomeric SMILES

C=CCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4)[O-]

InChI

InChI=1S/C24H26N4O2S/c1-2-12-28-23(30)19-11-10-18(15-20(19)26-24(28)31)22(29)25-16-21(27-13-6-7-14-27)17-8-4-3-5-9-17/h2-5,8-11,15,21,30H,1,6-7,12-14,16H2,(H,25,29)/t21-/m0/s1