N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[4-(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=C(C=C2)NC(=S)NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c22-16(13-5-6-13)20-18(24)19-15-9-7-14(8-10-15)17(23)21-11-3-1-2-4-12-21/h7-10,13H,1-6,11-12H2,(H2,19,20,22,24)