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

Systemtic Name: 5-chloranyl-N-[3-[[3-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxy-propyl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxypropyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[3-[3-(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(=C1)NCC(CNC(=O)C2=CC=C(S2)Cl)O)CC#N

Isomeric SMILES

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

InChI

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