5-chloranyl-N-[3-[[4-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[3-[[4-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[3-[4-(cyanomethyl)anilino]-2-hydroxy-propyl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[3-[4-(cyanomethyl)anilino]-2-hydroxypropyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[3-[4-(cyanomethyl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[3-[4-(cyanomethyl)anilino]-2-hydroxy-propyl]thiophene-2-carboxamide Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NCC(CNC(=O)C2=CC=C(S2)Cl)O

Isomeric SMILES

C1=CC(=CC=C1CC#N)NCC(CNC(=O)C2=CC=C(S2)Cl)O

InChI

InChI=1S/C16H16ClN3O2S/c17-15-6-5-14(23-15)16(22)20-10-13(21)9-19-12-3-1-11(2-4-12)7-8-18/h1-6,13,19,21H,7,9-10H2,(H,20,22)