2-(1-adamantyl)-N-[[3-chloranyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3-chloranyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]piperazin-1-yl]phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazino]phenyl]thiocarbamoyl]acetamide Formula: C29H30ClF5N4OS MolecularWeight: 613.084716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl)C6=C(C(=C(C(=C6F)F)F)F)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4)Cl)C6=C(C(=C(C(=C6F)F)F)F)F

InChI

InChI=1S/C29H30ClF5N4OS/c30-19-10-18(36-28(41)37-21(40)14-29-11-15-7-16(12-29)9-17(8-15)13-29)1-2-20(19)38-3-5-39(6-4-38)27-25(34)23(32)22(31)24(33)26(27)35/h1-2,10,15-17H,3-9,11-14H2,(H2,36,37,40,41)