1-methyl-4-[4-[(3-propyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[(3-propyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[(3-propyl-2-thioxo-imidazol-1-yl)methyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(3-propyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[(3-propyl-2-sulfanylideneimidazol-1-yl)methyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[(3-propyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C17H26N6O3S2 MolecularWeight: 426.55674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CCCN1C=CN(C1=S)CN2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C17H26N6O3S2/c1-3-4-21-7-8-22(17(21)27)13-20-5-9-23(10-6-20)28(25,26)14-11-15(16(18)24)19(2)12-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H2,18,24)