zinc 3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride

Systemtic Name: zinc 3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride Openeye Name: zinc 3-[2-[4-[2-chloroethyl(ethyl)amino]phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride CAS Name: zinc 3-[2-[4-[2-chloroethyl(ethyl)amino]phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride IUPAC Name: zinc 3-[2-[[4-[2-chloroethyl(ethyl)amino]phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide tetrachloride Traditional Name: zinc 3-[2-[4-[2-chloroethyl(ethyl)amino]phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propionamide tetrachloride Formula: C44H54Cl6N10O4S2Zn MolecularWeight: 1129.22116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.CCN(CCCl)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C22H26ClN5O2S.4ClH.Zn/c2*1-3-27(14-12-23)17-7-5-16(6-8-17)25-26-22-28(13-11-21(24)29)19-10-9-18(30-4-2)15-20(19)31-22;;;;;/h2*5-10,15H,3-4,11-14H2,1-2H3,(H-,24,29);4*1H;/q;;;;;;+2/p-2