N-[(2,6-dimethoxyphenyl)methyl]-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine

Systemtic Name: N-[(2,6-dimethoxyphenyl)methyl]-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: N-[(2,6-dimethoxyphenyl)methyl]-3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: N-[(2,6-dimethoxyphenyl)methyl]-3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: N-[(2,6-dimethoxyphenyl)methyl]-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: (2,6-dimethoxybenzyl)-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=CC=C4OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C(C=CC=C4OC)OC)C

InChI

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