S-ethoxy N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoylamino]phenyl]carbamothioate

Systemtic Name: S-ethoxy N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoylamino]phenyl]carbamothioate Openeye Name: S-ethoxy N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoylamino]phenyl]carbamothioate CAS Name: oxo-[3-[[oxo-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)amino]methyl]amino]anilino]methanesulfenic acid ethyl ester IUPAC Name: S-ethoxy N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoylamino]phenyl]carbamothioate Traditional Name: N-[3-[(10-propargyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoylamino]phenyl]thiocarbamic acid S-ethoxy ester Formula: C26H27N4O3S+ MolecularWeight: 475.58258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3S/c1-3-14-30-23-11-6-5-8-18(23)15-19-16-22(12-13-24(19)30)28-25(31)27-20-9-7-10-21(17-20)29-26(32)34-33-4-2/h1,7,9-10,12-13,15-17H,4-6,8,11,14H2,2H3,(H2-,27,28,29,31,32)/p+1