N-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-methoxy-5-(1-piperidylsulfonyl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2-methoxy-5-piperidin-1-ylsulfonylphenyl)carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[(2-methoxy-5-piperidinosulfonyl-phenyl)thiocarbamoyl]thiophene-2-carboxamide Formula: C18H21N3O4S3 MolecularWeight: 439.57204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O4S3/c1-25-15-8-7-13(28(23,24)21-9-3-2-4-10-21)12-14(15)19-18(26)20-17(22)16-6-5-11-27-16/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20,22,26)