N-(azepan-1-ylcarbothioyl)-4-bromanyl-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-bromanyl-benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-bromo-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-bromobenzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-bromobenzamide Traditional Name: N-(azepane-1-carbothioyl)-4-bromo-benzamide Formula: C14H17BrN2OS MolecularWeight: 341.26658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN2OS/c15-12-7-5-11(6-8-12)13(18)16-14(19)17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2,(H,16,18,19)