N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propionamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)CCNC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)CCNC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4S/c23-17(21-15-7-9-27(25,26)13-15)6-8-19-18(24)10-14-11-20-22(12-14)16-4-2-1-3-5-16/h1-5,11-12,15H,6-10,13H2,(H,19,24)(H,21,23)