diethyl-[2-[4-[(4-methoxyphenyl)methylcarbamothioylamino]phenyl]carbonyloxyethyl]azanium

Systemtic Name: diethyl-[2-[4-[(4-methoxyphenyl)methylcarbamothioylamino]phenyl]carbonyloxyethyl]azanium Openeye Name: diethyl-[2-[4-[(4-methoxyphenyl)methylcarbamothioylamino]benzoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[[4-[[[(4-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-oxomethoxy]ethyl]ammonium IUPAC Name: diethyl-[2-[4-[(4-methoxyphenyl)methylcarbamothioylamino]benzoyl]oxyethyl]azanium Traditional Name: diethyl-[2-[4-(p-anisylthiocarbamoylamino)benzoyl]oxyethyl]ammonium Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H29N3O3S/c1-4-25(5-2)14-15-28-21(26)18-8-10-19(11-9-18)24-22(29)23-16-17-6-12-20(27-3)13-7-17/h6-13H,4-5,14-16H2,1-3H3,(H2,23,24,29)/p+1