N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-tert-butyl-benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-bromanyl-4-tert-butyl-benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-bromo-4-tert-butyl-benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-bromo-4-tert-butylbenzamide Traditional Name: N-(azepane-1-carbothioyl)-3-bromo-4-tert-butyl-benzamide Formula: C18H25BrN2OS MolecularWeight: 397.3729

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)N2CCCCCC2)Br

InChI

InChI=1S/C18H25BrN2OS/c1-18(2,3)14-9-8-13(12-15(14)19)16(22)20-17(23)21-10-6-4-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,22,23)