N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[4-[(5-bromo-2-thienyl)methyl]piperazino]acetamide Formula: C19H21BrN4O4S MolecularWeight: 481.36344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Br)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Br)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21BrN4O4S/c20-17-4-2-14(29-17)10-23-5-7-24(8-6-23)11-18(25)22-19(26)21-13-1-3-15-16(9-13)28-12-27-15/h1-4,9H,5-8,10-12H2,(H2,21,22,25,26)