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

Systemtic Name: S-propan-2-yloxy N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate Openeye Name: S-isopropoxy N-[3-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)carbamoyl]phenyl]carbamothioate CAS Name: oxo-[3-[oxo-[(10-prop-2-ynyl-5,6,7,8-tetrahydroacridin-10-ium-2-yl)amino]methyl]anilino]methanesulfenic acid propan-2-yl ester IUPAC Name: S-propan-2-yloxy 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 S-isopropoxy ester Formula: C27H28N3O3S+ MolecularWeight: 474.59452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-4-14-30-24-11-6-5-8-19(24)15-21-17-23(12-13-25(21)30)28-26(31)20-9-7-10-22(16-20)29-27(32)34-33-18(2)3/h1,7,9-10,12-13,15-18H,5-6,8,11,14H2,2-3H3,(H-,28,29,31,32)/p+1