N-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-N-ethyl-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]-N-ethyl-4-pyrazol-1-yl-benzamide Openeye Name: N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]-N-ethyl-4-pyrazol-1-yl-benzamide CAS Name: N-[2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl]-N-ethyl-4-(1-pyrazolyl)benzamide IUPAC Name: N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-N-ethyl-4-pyrazol-1-ylbenzamide Traditional Name: N-[2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl]-N-ethyl-4-pyrazol-1-yl-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H22N4O4S/c1-2-21(12-17(23)20-15-8-11-27(25,26)13-15)18(24)14-4-6-16(7-5-14)22-10-3-9-19-22/h3-7,9-10,15H,2,8,11-13H2,1H3,(H,20,23)/t15-/m0/s1