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

Systemtic Name: O-methyl N-cyclohexyl-N-[2-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Openeye Name: O-methyl N-cyclohexyl-N-[2-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate CAS Name: N-cyclohexyl-N-[2-[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-cyclohexyl-N-[2-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Traditional Name: N-cyclohexyl-N-[2-[(10-propargyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]thiocarbamic acid O-methyl ester Formula: C31H34N3O2S+ MolecularWeight: 512.68556

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Descriptors Computed from Structure

Canonical SMILES:

COC(=S)N(C1CCCCC1)C2=CC=CC=C2C(=O)NC3=CC4=CC5=C(CCCC5)[N+](=C4C=C3)CC#C

Isomeric SMILES

COC(=S)N(C1CCCCC1)C2=CC=CC=C2C(=O)NC3=CC4=CC5=C(CCCC5)[N+](=C4C=C3)CC#C

InChI

InChI=1S/C31H33N3O2S/c1-3-19-33-27-15-9-7-11-22(27)20-23-21-24(17-18-28(23)33)32-30(35)26-14-8-10-16-29(26)34(31(37)36-2)25-12-5-4-6-13-25/h1,8,10,14,16-18,20-21,25H,4-7,9,11-13,15,19H2,2H3/p+1