2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butyl-hexyl-amino]methyl]phenol

Systemtic Name: 2-[[4-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)butyl-hexyl-amino]methyl]phenol Openeye Name: 2-[[4-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)butyl-hexyl-amino]methyl]phenol CAS Name: 2-[[4-(1,2-dimethyl-5-oxo-10-phenothiazinyl)butyl-hexylamino]methyl]phenol IUPAC Name: 2-[[4-(1,2-dimethyl-5-oxophenothiazin-10-yl)butyl-hexylamino]methyl]phenol Traditional Name: 2-[[hexyl-[4-(5-keto-1,2-dimethyl-phenothiazin-10-yl)butyl]amino]methyl]phenol Formula: C31H40N2O2S MolecularWeight: 504.7265

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCN1C2=CC=CC=C2S(=O)C3=C1C(=C(C=C3)C)C)CC4=CC=CC=C4O

Isomeric SMILES

CCCCCCN(CCCCN1C2=CC=CC=C2S(=O)C3=C1C(=C(C=C3)C)C)CC4=CC=CC=C4O

InChI

InChI=1S/C31H40N2O2S/c1-4-5-6-11-20-32(23-26-14-7-9-16-28(26)34)21-12-13-22-33-27-15-8-10-17-29(27)36(35)30-19-18-24(2)25(3)31(30)33/h7-10,14-19,34H,4-6,11-13,20-23H2,1-3H3