10-[[(4-bromophenyl)amino]methyl]-7-methoxy-phenothiazine-1-carboxylic acid

Systemtic Name: 10-[[(4-bromophenyl)amino]methyl]-7-methoxy-phenothiazine-1-carboxylic acid Openeye Name: 10-[(4-bromoanilino)methyl]-7-methoxy-phenothiazine-1-carboxylic acid CAS Name: 10-[(4-bromoanilino)methyl]-7-methoxy-1-phenothiazinecarboxylic acid IUPAC Name: 10-[(4-bromoanilino)methyl]-7-methoxyphenothiazine-1-carboxylic acid Traditional Name: 10-[(4-bromoanilino)methyl]-7-methoxy-phenothiazine-1-carboxylic acid Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C(C=CC=C3S2)C(=O)O)CNC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C(C=CC=C3S2)C(=O)O)CNC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-27-15-9-10-17-19(11-15)28-18-4-2-3-16(21(25)26)20(18)24(17)12-23-14-7-5-13(22)6-8-14/h2-11,23H,12H2,1H3,(H,25,26)