2-[4-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]piperazin-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[4-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl]piperazin-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[4-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl]piperazin-1-yl]-2-phenyl-acetic acid CAS Name: 2-[4-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl]-1-piperazinyl]-2-phenylacetic acid IUPAC Name: 2-[4-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl]piperazin-1-yl]-2-phenylacetic acid Traditional Name: 2-[4-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]piperazino]-2-phenyl-acetic 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(CC4)C(C5=CC=CC=C5)C(=O)O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN4CCN(CC4)C(C5=CC=CC=C5)C(=O)O)C

InChI

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