4-[2,3-bis(chloranyl)phenyl]sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,3-bis(chloranyl)phenyl]sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,3-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2,3-dichlorophenyl)sulfonyl-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,3-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C18H27Cl2N4O3S2+ MolecularWeight: 482.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl

InChI

InChI=1S/C18H26Cl2N4O3S2/c19-15-3-1-4-16(17(15)20)29(25,26)24-9-7-23(8-10-24)18(28)21-5-2-6-22-11-13-27-14-12-22/h1,3-4H,2,5-14H2,(H,21,28)/p+1