zinc 3-[2-[[4-[cyclohexyl-(phenylmethyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide tetrachloride

Systemtic Name: zinc 3-[2-[[4-[cyclohexyl-(phenylmethyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide tetrachloride Openeye Name: zinc 3-[2-[4-[benzyl(cyclohexyl)amino]phenyl]azothiazol-3-ium-3-yl]propanamide tetrachloride CAS Name: zinc 3-[2-[4-[cyclohexyl-(phenylmethyl)amino]phenyl]azo-3-thiazol-3-iumyl]propanamide tetrachloride IUPAC Name: zinc 3-[2-[[4-[benzyl(cyclohexyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide tetrachloride Traditional Name: zinc 3-[2-[4-[benzyl(cyclohexyl)amino]phenyl]azothiazol-3-ium-3-yl]propionamide tetrachloride Formula: C50H60Cl4N10O2S2Zn MolecularWeight: 1104.4282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N.C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N.C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]

InChI

InChI=1S/2C25H29N5OS.4ClH.Zn/c2*26-24(31)15-16-29-17-18-32-25(29)28-27-21-11-13-23(14-12-21)30(22-9-5-2-6-10-22)19-20-7-3-1-4-8-20;;;;;/h2*1,3-4,7-8,11-14,17-18,22H,2,5-6,9-10,15-16,19H2,(H-,26,31);4*1H;/q;;;;;;+2/p-2