butylamino-ethanoyl-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-methyl-azanium hydrochloride

Systemtic Name: butylamino-ethanoyl-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-methyl-azanium hydrochloride Openeye Name: acetyl-(butylamino)-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-methyl-ammonium hydrochloride CAS Name: acetyl-(butylamino)-[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]phenyl]-methylammonium hydrochloride IUPAC Name: acetyl-(butylamino)-[2-(ethoxycarbonylcarbamothioylamino)phenyl]-methylazanium hydrochloride Traditional Name: acetyl-(butylamino)-[2-(carbethoxythiocarbamoylamino)phenyl]-methyl-ammonium hydrochloride Formula: C17H28ClN4O3S+ MolecularWeight: 403.94722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN[N+](C)(C1=CC=CC=C1NC(=S)NC(=O)OCC)C(=O)C.Cl

Isomeric SMILES

CCCCN[N+](C)(C1=CC=CC=C1NC(=S)NC(=O)OCC)C(=O)C.Cl

InChI

InChI=1S/C17H26N4O3S.ClH/c1-5-7-12-18-21(4,13(3)22)15-11-9-8-10-14(15)19-16(25)20-17(23)24-6-2;/h8-11,18H,5-7,12H2,1-4H3,(H-,19,20,23,25);1H/p+1