N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-pentoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]benzamide Formula: C25H33N3O4S2 MolecularWeight: 503.67722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S2/c1-2-3-10-19-32-23-12-7-6-11-22(23)24(29)27-25(33)26-20-13-15-21(16-14-20)34(30,31)28-17-8-4-5-9-18-28/h6-7,11-16H,2-5,8-10,17-19H2,1H3,(H2,26,27,29,33)