2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl thiophene-2-carboxylate

Systemtic Name: 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethyl thiophene-2-carboxylate Openeye Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethyl ester Formula: C26H28ClN3O2S2 MolecularWeight: 514.10242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCOC(=O)C5=CC=CS5

InChI

InChI=1S/C26H28ClN3O2S2/c27-20-8-9-24-22(19-20)30(21-5-1-2-6-23(21)34-24)11-4-10-28-12-14-29(15-13-28)16-17-32-26(31)25-7-3-18-33-25/h1-3,5-9,18-19H,4,10-17H2