N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C20H21ClN4O5S2 MolecularWeight: 496.98754

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S2/c21-17-10-5-14(13-18(17)25(27)28)19(26)23-20(31)22-15-6-8-16(9-7-15)32(29,30)24-11-3-1-2-4-12-24/h5-10,13H,1-4,11-12H2,(H2,22,23,26,31)