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

Systemtic Name: 2-[[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propylamino]methyl]-6-ethyl-phenol Openeye Name: 2-[[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propylamino]methyl]-6-ethyl-phenol CAS Name: 2-[[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propylamino]methyl]-6-ethylphenol IUPAC Name: 2-[[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propylamino]methyl]-6-ethylphenol Traditional Name: 2-ethyl-6-[[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propylamino]methyl]phenol Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CNCCCN2C3=CC=CC=C3S(=O)C4=C2C(=C(C=C4)C)C)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CNCCCN2C3=CC=CC=C3S(=O)C4=C2C(=C(C=C4)C)C)O

InChI

InChI=1S/C26H30N2O2S/c1-4-20-9-7-10-21(26(20)29)17-27-15-8-16-28-22-11-5-6-12-23(22)31(30)24-14-13-18(2)19(3)25(24)28/h5-7,9-14,27,29H,4,8,15-17H2,1-3H3