N-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]phenyl]ethanamide

Systemtic Name: N-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]phenyl]ethanamide Openeye Name: N-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]phenyl]acetamide CAS Name: N-[4-[[[1-(4-morpholin-4-iumyl)cyclohexyl]methylamino]-sulfanylidenemethyl]phenyl]acetamide IUPAC Name: N-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylcarbamothioyl]phenyl]acetamide Traditional Name: N-[4-[(1-morpholin-4-ium-4-ylcyclohexyl)methylthiocarbamoyl]phenyl]acetamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=S)NCC2(CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=S)NCC2(CCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C20H29N3O2S/c1-16(24)22-18-7-5-17(6-8-18)19(26)21-15-20(9-3-2-4-10-20)23-11-13-25-14-12-23/h5-8H,2-4,9-15H2,1H3,(H,21,26)(H,22,24)/p+1