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

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-[2-(4-pyrazol-1-ylphenyl)ethanoylamino]propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-3-[[1-oxo-2-[4-(1-pyrazolyl)phenyl]ethyl]amino]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-3-[[2-(4-pyrazol-1-ylphenyl)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=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)CCNC(=O)CC2=CC=C(C=C2)N3C=CC=N3

InChI

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