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

Systemtic Name: 2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butylamino]methyl]-6-propan-2-yloxy-phenol Openeye Name: 2-[[4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butylamino]methyl]-6-isopropoxy-phenol CAS Name: 2-[[4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)butylamino]methyl]-6-propan-2-yloxyphenol IUPAC Name: 2-[[4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butylamino]methyl]-6-propan-2-yloxyphenol Traditional Name: 2-isopropoxy-6-[[4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)butylamino]methyl]phenol Formula: C28H34N2O3S MolecularWeight: 478.64616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCCNCC4=C(C(=CC=C4)OC(C)C)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCCNCC4=C(C(=CC=C4)OC(C)C)O)C

InChI

InChI=1S/C28H34N2O3S/c1-19(2)33-24-12-9-10-22(28(24)31)18-29-16-7-8-17-30-23-11-5-6-13-25(23)34(32)26-15-14-20(3)21(4)27(26)30/h5-6,9-15,19,29,31H,7-8,16-18H2,1-4H3