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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclobutanecarboxamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclobutanecarboxamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]cyclobutanecarboxamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclobutanecarboxamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]cyclobutanecarboxamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCC3

InChI

InChI=1S/C18H25N3O3S2/c22-17(14-6-5-7-14)20-18(25)19-15-8-10-16(11-9-15)26(23,24)21-12-3-1-2-4-13-21/h8-11,14H,1-7,12-13H2,(H2,19,20,22,25)