N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-carbothioamide Formula: C19H28ClN4O2S+ MolecularWeight: 411.96922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CC[NH+](CC2)CC(=O)N3CCOCC3)C

InChI

InChI=1S/C19H27ClN4O2S/c1-14-11-15(2)18(16(20)12-14)21-19(27)24-5-3-22(4-6-24)13-17(25)23-7-9-26-10-8-23/h11-12H,3-10,13H2,1-2H3,(H,21,27)/p+1