3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine

Systemtic Name: 3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine Openeye Name: 3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine CAS Name: 3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-(1H-imidazol-2-ylmethyl)-1-propanamine IUPAC Name: 3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine Traditional Name: 1H-imidazol-2-ylmethyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C21H24N4OS MolecularWeight: 380.50646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=NC=CN4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=NC=CN4)C

InChI

InChI=1S/C21H24N4OS/c1-15-8-9-19-21(16(15)2)25(17-6-3-4-7-18(17)27(19)26)13-5-10-22-14-20-23-11-12-24-20/h3-4,6-9,11-12,22H,5,10,13-14H2,1-2H3,(H,23,24)