1,3-benzothiazol-2-ylmethyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-bis[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-bis[2-(2,6-dimethylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-bis[2-(2,6-dimethylanilino)-2-keto-ethyl]ammonium Formula: C28H31N4O2S+ MolecularWeight: 487.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CC=C4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+](CC2=NC3=CC=CC=C3S2)CC(=O)NC4=C(C=CC=C4C)C

InChI

InChI=1S/C28H30N4O2S/c1-18-9-7-10-19(2)27(18)30-24(33)15-32(17-26-29-22-13-5-6-14-23(22)35-26)16-25(34)31-28-20(3)11-8-12-21(28)4/h5-14H,15-17H2,1-4H3,(H,30,33)(H,31,34)/p+1