8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazine-4-carboxylic acid

Systemtic Name: 8,9-dimethyl-5-oxidanylidene-10-[3-[(phenylmethyl)amino]propyl]phenothiazine-4-carboxylic acid Openeye Name: 10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxo-phenothiazine-4-carboxylic acid CAS Name: 8,9-dimethyl-5-oxo-10-[3-[(phenylmethyl)amino]propyl]-4-phenothiazinecarboxylic acid IUPAC Name: 10-[3-(benzylamino)propyl]-8,9-dimethyl-5-oxophenothiazine-4-carboxylic acid Traditional Name: 10-[3-(benzylamino)propyl]-5-keto-8,9-dimethyl-phenothiazine-4-carboxylic acid Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=C(C=CC=C3N2CCCNCC4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=C(C=CC=C3N2CCCNCC4=CC=CC=C4)C(=O)O)C

InChI

InChI=1S/C25H26N2O3S/c1-17-12-13-22-23(18(17)2)27(15-7-14-26-16-19-8-4-3-5-9-19)21-11-6-10-20(25(28)29)24(21)31(22)30/h3-6,8-13,26H,7,14-16H2,1-2H3,(H,28,29)