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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3CC3

InChI

InChI=1S/C18H23N3O2S/c22-16(13-9-10-13)20-18(24)19-15-8-4-3-7-14(15)17(23)21-11-5-1-2-6-12-21/h3-4,7-8,13H,1-2,5-6,9-12H2,(H2,19,20,22,24)