N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,4-bis(chloranyl)benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,4-bis(chloranyl)benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,4-dichloro-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2,4-dichlorobenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2,4-dichloro-benzamide Formula: C20H21Cl2N3O3S2 MolecularWeight: 486.43504

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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=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3O3S2/c21-14-5-10-17(18(22)13-14)19(26)24-20(29)23-15-6-8-16(9-7-15)30(27,28)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12H2,(H2,23,24,26,29)