2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-[5-ethyl-3-(2-methoxyphenyl)carbonyl-thiophen-2-yl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-[5-ethyl-3-(2-methoxybenzoyl)-2-thienyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperazin-1-iumyl]-N-[5-ethyl-3-[(2-methoxyphenyl)-oxomethyl]-2-thiophenyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-[5-ethyl-3-(2-methoxybenzoyl)thiophen-2-yl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-ium-1-yl]-N-(5-ethyl-3-o-anisoyl-2-thienyl)acetamide Formula: C27H29N4O3S2+ MolecularWeight: 521.67416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CC=C5OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C27H28N4O3S2/c1-3-18-16-20(25(33)19-8-4-6-10-22(19)34-2)26(35-18)29-24(32)17-30-12-14-31(15-13-30)27-28-21-9-5-7-11-23(21)36-27/h4-11,16H,3,12-15,17H2,1-2H3,(H,29,32)/p+1