N-(1,3-benzodioxol-4-ylmethyl)-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: 1,3-benzodioxol-4-ylmethyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C5C(=CC=C4)OCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=C5C(=CC=C4)OCO5)C

InChI

InChI=1S/C25H26N2O3S/c1-17-11-12-23-24(18(17)2)27(20-8-3-4-10-22(20)31(23)28)14-6-13-26-15-19-7-5-9-21-25(19)30-16-29-21/h3-5,7-12,26H,6,13-16H2,1-2H3