N-[(5R)-7-oxidanylidene-5-(4-propylpiperazin-4-ium-1-yl)carbonyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(5R)-7-oxidanylidene-5-(4-propylpiperazin-4-ium-1-yl)carbonyl-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide Openeye Name: N-[(5R)-7-oxo-5-(4-propylpiperazin-4-ium-1-carbonyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide CAS Name: N-[(5R)-7-oxo-5-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]-5,6-dihydro-4H-1,3-benzothiazol-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(5R)-7-oxo-5-(4-propylpiperazin-4-ium-1-carbonyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide Traditional Name: N-[(5R)-7-keto-5-(4-propylpiperazin-4-ium-1-carbonyl)-5,6-dihydro-4H-1,3-benzothiazol-2-yl]thiophene-2-carboxamide Formula: C20H25N4O3S2+ MolecularWeight: 433.5675

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CC=CS4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)[C@@H]2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N4O3S2/c1-2-5-23-6-8-24(9-7-23)19(27)13-11-14-17(15(25)12-13)29-20(21-14)22-18(26)16-4-3-10-28-16/h3-4,10,13H,2,5-9,11-12H2,1H3,(H,21,22,26)/p+1/t13-/m1/s1