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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-1,3-benzothiazole-2-carboxamide Formula: C20H23N3OS2 MolecularWeight: 385.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=NC3=CC=CC=C3S2)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=NC3=CC=CC=C3S2)C4=CSC=C4

InChI

InChI=1S/C20H23N3OS2/c24-19(20-22-16-7-3-4-8-18(16)26-20)21-13-17(15-9-12-25-14-15)23-10-5-1-2-6-11-23/h3-4,7-9,12,14,17H,1-2,5-6,10-11,13H2,(H,21,24)