O-ethyl N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate

Systemtic Name: O-ethyl N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Openeye Name: O-ethyl N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate CAS Name: N-[3-[oxo-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)amino]methyl]phenyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Traditional Name: N-[3-[(10-propargyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]thiocarbamic acid O-ethyl ester Formula: C26H26N3O2S+ MolecularWeight: 444.56854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC3=CC4=C(CCCC4)[N+](=C3C=C2)CC#C

Isomeric SMILES

CCOC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC3=CC4=C(CCCC4)[N+](=C3C=C2)CC#C

InChI

InChI=1S/C26H25N3O2S/c1-3-14-29-23-11-6-5-8-18(23)15-20-17-22(12-13-24(20)29)27-25(30)19-9-7-10-21(16-19)28-26(32)31-4-2/h1,7,9-10,12-13,15-17H,4-6,8,11,14H2,2H3,(H-,27,28,30,32)/p+1