2-[[3-(8-methoxy-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol

Systemtic Name: 2-[[3-(8-methoxy-1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol Openeye Name: 2-[[3-(8-methoxy-1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol CAS Name: 2-[[3-(8-methoxy-1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-methylamino]methyl]phenol IUPAC Name: 2-[[3-(8-methoxy-1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-methylamino]methyl]phenol Traditional Name: 2-[[3-(5-keto-8-methoxy-1,2-dimethyl-phenothiazin-10-yl)propyl-methyl-amino]methyl]phenol Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN(C)CC4=CC=CC=C4O)C=C(C=C3)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCN(C)CC4=CC=CC=C4O)C=C(C=C3)OC)C

InChI

InChI=1S/C26H30N2O3S/c1-18-10-12-25-26(19(18)2)28(22-16-21(31-4)11-13-24(22)32(25)30)15-7-14-27(3)17-20-8-5-6-9-23(20)29/h5-6,8-13,16,29H,7,14-15,17H2,1-4H3