O-ethyl N-[3-[(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)carbamoylamino]phenyl]carbamothioate

Systemtic Name: O-ethyl N-[3-[(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)carbamoylamino]phenyl]carbamothioate Openeye Name: O-ethyl N-[3-[(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)carbamoylamino]phenyl]carbamothioate CAS Name: N-[3-[[oxo-[(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)amino]methyl]amino]phenyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[3-[(10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)carbamoylamino]phenyl]carbamothioate Traditional Name: N-[3-[(10-propargyl-1,2,3,4-tetrahydroacridin-10-ium-1-yl)carbamoylamino]phenyl]thiocarbamic acid O-ethyl ester Formula: C26H27N4O2S+ MolecularWeight: 459.58318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC=CC(=C1)NC(=O)NC2CCCC3=[N+](C4=CC=CC=C4C=C23)CC#C

Isomeric SMILES

CCOC(=S)NC1=CC=CC(=C1)NC(=O)NC2CCCC3=[N+](C4=CC=CC=C4C=C23)CC#C

InChI

InChI=1S/C26H26N4O2S/c1-3-15-30-23-13-6-5-9-18(23)16-21-22(12-8-14-24(21)30)29-25(31)27-19-10-7-11-20(17-19)28-26(33)32-4-2/h1,5-7,9-11,13,16-17,22H,4,8,12,14-15H2,2H3,(H2-,27,28,29,31,33)/p+1