N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H29N3O2S/c25-19(16-10-4-3-5-11-16)23-21(27)22-18-13-7-6-12-17(18)20(26)24-14-8-1-2-9-15-24/h6-7,12-13,16H,1-5,8-11,14-15H2,(H2,22,23,25,27)