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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C26H35N3O4S2 MolecularWeight: 517.7038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C26H35N3O4S2/c1-2-3-4-9-20-33-23-14-10-21(11-15-23)25(30)28-26(34)27-22-12-16-24(17-13-22)35(31,32)29-18-7-5-6-8-19-29/h10-17H,2-9,18-20H2,1H3,(H2,27,28,30,34)