3-(2-tert-butyl-5-oxidanylidene-phenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid

Systemtic Name: 3-(2-tert-butyl-5-oxidanylidene-phenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; ethanedioic acid Openeye Name: 3-(2-tert-butyl-5-oxo-phenothiazin-10-yl)-N,N-dimethyl-propan-1-amine; oxalic acid CAS Name: 3-(2-tert-butyl-5-oxo-10-phenothiazinyl)-N,N-dimethyl-1-propanamine; oxalic acid IUPAC Name: 3-(2-tert-butyl-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine; oxalic acid Traditional Name: 3-(2-tert-butyl-5-keto-phenothiazin-10-yl)propyl-dimethyl-amine; oxalic acid Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2OS.C2H2O4/c1-21(2,3)16-11-12-20-18(15-16)23(14-8-13-22(4)5)17-9-6-7-10-19(17)25(20)24;3-1(4)2(5)6/h6-7,9-12,15H,8,13-14H2,1-5H3;(H,3,4)(H,5,6)