N-[3-methyl-1-oxidanylidene-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[2-methyl-1-[[4-(3-pyridylmethylsulfanyl)phenyl]carbamoyl]propyl]thiophene-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[4-(3-pyridinylmethylthio)anilino]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[4-(pyridin-3-ylmethylsulfanyl)anilino]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[2-methyl-1-[[4-(3-pyridylmethylthio)phenyl]carbamoyl]propyl]thiophene-2-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C22H23N3O2S2/c1-15(2)20(25-21(26)19-6-4-12-28-19)22(27)24-17-7-9-18(10-8-17)29-14-16-5-3-11-23-13-16/h3-13,15,20H,14H2,1-2H3,(H,24,27)(H,25,26)