N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-cyclohexyl-propanamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-cyclohexyl-propanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-cyclohexyl-propanamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-cyclohexylpropanamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-cyclohexylpropanamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-cyclohexyl-propionamide Formula: C23H33N3O2S MolecularWeight: 415.59202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC3CCCCC3

InChI

InChI=1S/C23H33N3O2S/c27-21(15-14-18-10-4-3-5-11-18)25-23(29)24-20-13-7-6-12-19(20)22(28)26-16-8-1-2-9-17-26/h6-7,12-13,18H,1-5,8-11,14-17H2,(H2,24,25,27,29)