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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-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=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C25H33N3O4S2/c1-2-3-8-19-32-22-13-9-20(10-14-22)24(29)27-25(33)26-21-11-15-23(16-12-21)34(30,31)28-17-6-4-5-7-18-28/h9-16H,2-8,17-19H2,1H3,(H2,26,27,29,33)