4-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]-1-(phenylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 4-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]-1-(phenylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-benzyl-4-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl]piperazine-2-carboxylic acid CAS Name: 4-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl]-1-(phenylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-benzyl-4-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]piperazine-2-carboxylic acid Traditional Name: 1-benzyl-4-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]piperazine-2-carboxylic acid Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(C(C4)C(=O)O)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(C(C4)C(=O)O)CC5=CC=CC=C5)C

InChI

InChI=1S/C29H33N3O3S/c1-21-13-14-27-28(22(21)2)32(24-11-6-7-12-26(24)36(27)35)16-8-15-30-17-18-31(25(20-30)29(33)34)19-23-9-4-3-5-10-23/h3-7,9-14,25H,8,15-20H2,1-2H3,(H,33,34)