N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]piazthiole-5-carboxamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC3=NSN=C3C=C2)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC3=NSN=C3C=C2)C4=CSC=C4

InChI

InChI=1S/C19H22N4OS2/c24-19(14-5-6-16-17(11-14)22-26-21-16)20-12-18(15-7-10-25-13-15)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,20,24)