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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S2/c25-20(16-17-8-4-3-5-9-17)23-21(28)22-18-10-12-19(13-11-18)29(26,27)24-14-6-1-2-7-15-24/h3-5,8-13H,1-2,6-7,14-16H2,(H2,22,23,25,28)