O-ethyl N-[3-[(9-methyl-10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate

Systemtic Name: O-ethyl N-[3-[(9-methyl-10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Openeye Name: O-ethyl N-[3-[(9-methyl-10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate CAS Name: N-[3-[[(9-methyl-10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)amino]-oxomethyl]phenyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[3-[(9-methyl-10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Traditional Name: N-[3-[(9-methyl-10-propargyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]thiocarbamic acid O-ethyl ester Formula: C27H28N3O2S+ MolecularWeight: 458.59512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C4=C(CCCC4)[N+](=C3C=C2)CC#C)C

Isomeric SMILES

CCOC(=S)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C4=C(CCCC4)[N+](=C3C=C2)CC#C)C

InChI

InChI=1S/C27H27N3O2S/c1-4-15-30-24-12-7-6-11-22(24)18(3)23-17-21(13-14-25(23)30)28-26(31)19-9-8-10-20(16-19)29-27(33)32-5-2/h1,8-10,13-14,16-17H,5-7,11-12,15H2,2-3H3,(H-,28,29,31,33)/p+1