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

Systemtic Name: O-methyl N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Openeye Name: O-methyl 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-methyl ester IUPAC Name: O-methyl 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-methyl ester Formula: C25H24N3O2S+ MolecularWeight: 430.54196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O2S/c1-3-13-28-22-10-5-4-7-17(22)14-19-16-21(11-12-23(19)28)26-24(29)18-8-6-9-20(15-18)27-25(31)30-2/h1,6,8-9,11-12,14-16H,4-5,7,10,13H2,2H3,(H-,26,27,29,31)/p+1