2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butylamino]methyl]-6-methyl-phenol

Systemtic Name: 2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butylamino]methyl]-6-methyl-phenol Openeye Name: 2-[[4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butylamino]methyl]-6-methyl-phenol CAS Name: 2-[[4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)butylamino]methyl]-6-methylphenol IUPAC Name: 2-[[4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butylamino]methyl]-6-methylphenol Traditional Name: 2-[[4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)butylamino]methyl]-6-methyl-phenol Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CNCCCCN2C3=CC=CC=C3S(=O)C4=C2C(=C(C=C4)C)C)O

Isomeric SMILES

CC1=C(C(=CC=C1)CNCCCCN2C3=CC=CC=C3S(=O)C4=C2C(=C(C=C4)C)C)O

InChI

InChI=1S/C26H30N2O2S/c1-18-13-14-24-25(20(18)3)28(22-11-4-5-12-23(22)31(24)30)16-7-6-15-27-17-21-10-8-9-19(2)26(21)29/h4-5,8-14,27,29H,6-7,15-17H2,1-3H3