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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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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=CS3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S3/c22-17(16-6-5-13-26-16)20-18(25)19-14-7-9-15(10-8-14)27(23,24)21-11-3-1-2-4-12-21/h5-10,13H,1-4,11-12H2,(H2,19,20,22,25)