3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(2-methylphenyl)methyl]propan-1-amine

Systemtic Name: 3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)-N-[(2-methylphenyl)methyl]propan-1-amine Openeye Name: 3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)-N-(o-tolylmethyl)propan-1-amine CAS Name: 3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-N-[(2-methylphenyl)methyl]-1-propanamine IUPAC Name: 3-(1,2-dimethyl-5-oxophenothiazin-10-yl)-N-[(2-methylphenyl)methyl]propan-1-amine Traditional Name: 3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl-(2-methylbenzyl)amine Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CC=CC=C4C)C

InChI

InChI=1S/C25H28N2OS/c1-18-13-14-24-25(20(18)3)27(22-11-6-7-12-23(22)29(24)28)16-8-15-26-17-21-10-5-4-9-19(21)2/h4-7,9-14,26H,8,15-17H2,1-3H3