N-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[5-(1-azepanylsulfonyl)-2-chloroanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H20ClN3O3S3 MolecularWeight: 458.0177

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H20ClN3O3S3/c19-14-8-7-13(28(24,25)22-9-3-1-2-4-10-22)12-15(14)20-18(26)21-17(23)16-6-5-11-27-16/h5-8,11-12H,1-4,9-10H2,(H2,20,21,23,26)