2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-6-methyl-phenol

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-6-methyl-phenol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-6-methyl-phenol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-6-methylphenol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-6-methylphenol Traditional Name: 2-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]-6-methyl-phenol Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CNCCCN2C3=CC=CC=C3S(=O)C4=C2C(=C(C=C4)C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)CNCCCN2C3=CC=CC=C3S(=O)C4=C2C(=C(C=C4)C)C)O

InChI

InChI=1S/C25H28N2O2S/c1-17-12-13-23-24(19(17)3)27(21-10-4-5-11-22(21)30(23)29)15-7-14-26-16-20-9-6-8-18(2)25(20)28/h4-6,8-13,26,28H,7,14-16H2,1-3H3