2-[(3,7-diacetamidophenothiazin-10-yl)methylamino]benzoic acid

Systemtic Name: 2-[(3,7-diacetamidophenothiazin-10-yl)methylamino]benzoic acid Openeye Name: 2-[(3,7-diacetamidophenothiazin-10-yl)methylamino]benzoic acid CAS Name: 2-[(3,7-diacetamido-10-phenothiazinyl)methylamino]benzoic acid IUPAC Name: 2-[(3,7-diacetamidophenothiazin-10-yl)methylamino]benzoic acid Traditional Name: 2-[(3,7-diacetamidophenothiazin-10-yl)methylamino]benzoic acid Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)NC(=O)C)CNC4=CC=CC=C4C(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)NC(=O)C)CNC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H22N4O4S/c1-14(29)26-16-7-9-20-22(11-16)33-23-12-17(27-15(2)30)8-10-21(23)28(20)13-25-19-6-4-3-5-18(19)24(31)32/h3-12,25H,13H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)