2-[[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylamino]propanoic acid

Systemtic Name: 2-[[3,7-bis(dimethylamino)phenothiazin-10-yl]carbonylamino]propanoic acid Openeye Name: 2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]propanoic acid CAS Name: 2-[[[3,7-bis(dimethylamino)-10-phenothiazinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]propanoic acid Traditional Name: 2-[[3,7-bis(dimethylamino)phenothiazine-10-carbonyl]amino]propionic acid Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)N1C2=C(C=C(C=C2)N(C)C)SC3=C1C=CC(=C3)N(C)C

Isomeric SMILES

CC(C(=O)O)NC(=O)N1C2=C(C=C(C=C2)N(C)C)SC3=C1C=CC(=C3)N(C)C

InChI

InChI=1S/C20H24N4O3S/c1-12(19(25)26)21-20(27)24-15-8-6-13(22(2)3)10-17(15)28-18-11-14(23(4)5)7-9-16(18)24/h6-12H,1-5H3,(H,21,27)(H,25,26)