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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C28H31N3O4S2 MolecularWeight: 537.69344

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4S2/c32-27(23-10-14-25(15-11-23)35-21-18-22-8-4-3-5-9-22)30-28(36)29-24-12-16-26(17-13-24)37(33,34)31-19-6-1-2-7-20-31/h3-5,8-17H,1-2,6-7,18-21H2,(H2,29,30,32,36)