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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]cyclopropanecarboxamide Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S2/c21-16(13-5-6-13)19-17(24)18-14-7-9-15(10-8-14)25(22,23)20-11-3-1-2-4-12-20/h7-10,13H,1-6,11-12H2,(H2,18,19,21,24)