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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclopentanecarboxamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclopentanecarboxamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]cyclopentanecarboxamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]cyclopentanecarboxamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]cyclopentanecarboxamide Formula: C19H27N3O3S2 MolecularWeight: 409.56598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3CCCC3

InChI

InChI=1S/C19H27N3O3S2/c23-18(15-7-3-4-8-15)21-19(26)20-16-9-11-17(12-10-16)27(24,25)22-13-5-1-2-6-14-22/h9-12,15H,1-8,13-14H2,(H2,20,21,23,26)