1,3-benzothiazol-2-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]-methyl-ammonium Formula: C20H18N5O3S2+ MolecularWeight: 440.51862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S2/c1-24(11-19-21-15-7-2-3-8-17(15)30-19)10-18(26)23-20-22-16(12-29-20)13-5-4-6-14(9-13)25(27)28/h2-9,12H,10-11H2,1H3,(H,22,23,26)/p+1