2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate

Systemtic Name: 2-[4-[(3Z)-3-(2-chloranylthioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate Openeye Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate CAS Name: decanoic acid 2-[4-[(3Z)-3-(2-chloro-9-thioxanthenylidene)propyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate Traditional Name: capric acid 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazino]ethyl ester Formula: C32H43ClN2O2S MolecularWeight: 555.21402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-