2-[[2-[(4-aminophenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbonyloxy]ethyl-diethyl-azanium

Systemtic Name: 2-[[2-[(4-aminophenyl)carbonylamino]-1,3-benzothiazol-6-yl]carbonyloxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[2-[[(4-aminophenyl)-oxomethyl]amino]-1,3-benzothiazol-6-yl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethylazanium Traditional Name: 2-[2-[(4-aminobenzoyl)amino]-1,3-benzothiazole-6-carbonyl]oxyethyl-diethyl-ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C21H24N4O3S/c1-3-25(4-2)11-12-28-20(27)15-7-10-17-18(13-15)29-21(23-17)24-19(26)14-5-8-16(22)9-6-14/h5-10,13H,3-4,11-12,22H2,1-2H3,(H,23,24,26)/p+1