3-[(4-benzamido-2,5-diethoxy-phenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-benzamido-2,5-diethoxy-phenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-benzamido-2,5-diethoxy-phenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-benzamido-2,5-diethoxyanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-benzamido-2,5-diethoxyphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-benzamido-2,5-diethoxy-phenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C23H33N4O3S+ MolecularWeight: 445.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C23H32N4O3S/c1-5-29-20-16-19(26-23(31)24-13-10-14-27(3)4)21(30-6-2)15-18(20)25-22(28)17-11-8-7-9-12-17/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3,(H,25,28)(H2,24,26,31)/p+1