N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-bis(chloranyl)benzamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-bis(chloranyl)benzamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-dichloro-benzamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3,5-dichlorobenzamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3,5-dichlorobenzamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3,5-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=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

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

InChI

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