N-(phenylmethyl)-3-(1,2,8,9-tetramethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine

Systemtic Name: N-(phenylmethyl)-3-(1,2,8,9-tetramethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: N-benzyl-3-(1,2,8,9-tetramethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: N-(phenylmethyl)-3-(1,2,8,9-tetramethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: N-benzyl-3-(1,2,8,9-tetramethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: benzyl-[3-(5-keto-1,2,8,9-tetramethyl-phenothiazin-10-yl)propyl]amine Formula: C26H30N2OS MolecularWeight: 418.5942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=CC=CC=C4)C(=C(C=C3)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(N2CCCNCC4=CC=CC=C4)C(=C(C=C3)C)C)C

InChI

InChI=1S/C26H30N2OS/c1-18-11-13-23-25(20(18)3)28(16-8-15-27-17-22-9-6-5-7-10-22)26-21(4)19(2)12-14-24(26)30(23)29/h5-7,9-14,27H,8,15-17H2,1-4H3