N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C25H31N3O2S/c1-25(2,3)19-14-12-18(13-15-19)22(29)27-24(31)26-21-11-7-6-10-20(21)23(30)28-16-8-4-5-9-17-28/h6-7,10-15H,4-5,8-9,16-17H2,1-3H3,(H2,26,27,29,31)