4-oxidanylidene-N-[3-oxidanylidene-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]-4-thiophen-2-yl-butanamide

Systemtic Name: 4-oxidanylidene-N-[3-oxidanylidene-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]-4-thiophen-2-yl-butanamide Openeye Name: 4-oxo-N-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]-4-(2-thienyl)butanamide CAS Name: 4-oxo-N-[3-oxo-3-[(1-phenyl-4-pyrazolyl)methylamino]propyl]-4-thiophen-2-ylbutanamide IUPAC Name: 4-oxo-N-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]-4-thiophen-2-ylbutanamide Traditional Name: 4-keto-N-[3-keto-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]-4-(2-thienyl)butyramide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)CCNC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C21H22N4O3S/c26-18(19-7-4-12-29-19)8-9-20(27)22-11-10-21(28)23-13-16-14-24-25(15-16)17-5-2-1-3-6-17/h1-7,12,14-15H,8-11,13H2,(H,22,27)(H,23,28)