3-[[2-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)anilino]-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCCNC(=O)C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H22N4O2S/c1-24(2)13-5-12-21-18(25)19(26)22-15-10-8-14(9-11-15)20-23-16-6-3-4-7-17(16)27-20/h3-4,6-11H,5,12-13H2,1-2H3,(H,21,25)(H,22,26)/p+1