N-[4-oxidanylidene-4-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]amino]butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]amino]butyl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-4-[3-(2-pyrazol-1-ylpropanoylamino)anilino]butyl]thiophene-2-carboxamide CAS Name: N-[4-oxo-4-[3-[[1-oxo-2-(1-pyrazolyl)propyl]amino]anilino]butyl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-4-[3-(2-pyrazol-1-ylpropanoylamino)anilino]butyl]thiophene-2-carboxamide Traditional Name: N-[4-keto-4-[3-(2-pyrazol-1-ylpropanoylamino)anilino]butyl]thiophene-2-carboxamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCCNC(=O)C2=CC=CS2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CCCNC(=O)C2=CC=CS2)N3C=CC=N3

InChI

InChI=1S/C21H23N5O3S/c1-15(26-12-5-11-23-26)20(28)25-17-7-2-6-16(14-17)24-19(27)9-3-10-22-21(29)18-8-4-13-30-18/h2,4-8,11-15H,3,9-10H2,1H3,(H,22,29)(H,24,27)(H,25,28)