N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C18H29N4O3S2+ MolecularWeight: 413.57786

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H28N4O3S2/c23-27(24,16-17-4-2-1-3-5-17)22-10-8-21(9-11-22)18(26)19-6-7-20-12-14-25-15-13-20/h1-5H,6-16H2,(H,19,26)/p+1