N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-4-[(E)-styryl]sulfonyl-piperazine-1-carbothioamide Formula: C19H29N4O3S2+ MolecularWeight: 425.58856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S2/c24-28(25,17-6-18-4-2-1-3-5-18)23-11-9-22(10-12-23)19(27)20-7-8-21-13-15-26-16-14-21/h1-6,17H,7-16H2,(H,20,27)/p+1/b17-6+