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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C25H25N3OS2 MolecularWeight: 447.6155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C25H25N3OS2/c1-17-12-13-23-25(18(17)2)28(20-9-4-6-11-22(20)31(23)29)15-7-14-26-16-24-27-19-8-3-5-10-21(19)30-24/h3-6,8-13,26H,7,14-16H2,1-2H3