2-[4-[(4Z)-4-(2-chloranylthioxanthen-9-ylidene)butyl]piperazin-1-yl]ethyl ethanoate

Systemtic Name: 2-[4-[(4Z)-4-(2-chloranylthioxanthen-9-ylidene)butyl]piperazin-1-yl]ethyl ethanoate Openeye Name: 2-[4-[(4Z)-4-(2-chlorothioxanthen-9-ylidene)butyl]piperazin-1-yl]ethyl acetate CAS Name: acetic acid 2-[4-[(4Z)-4-(2-chloro-9-thioxanthenylidene)butyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(4Z)-4-(2-chlorothioxanthen-9-ylidene)butyl]piperazin-1-yl]ethyl acetate Traditional Name: acetic acid 2-[4-[(4Z)-4-(2-chlorothioxanthen-9-ylidene)butyl]piperazino]ethyl ester Formula: C25H29ClN2O2S MolecularWeight: 457.02796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN2O2S/c1-19(29)30-17-16-28-14-12-27(13-15-28)11-5-4-6-21-22-7-2-3-8-24(22)31-25-10-9-20(26)18-23(21)25/h2-3,6-10,18H,4-5,11-17H2,1H3/b21-6-