(2S)-2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-3-methyl-N-pyridin-2-yl-butanamide

Systemtic Name: (2S)-2-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]-3-methyl-N-pyridin-2-yl-butanamide Openeye Name: (2S)-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methyl-N-(2-pyridyl)butanamide CAS Name: (2S)-2-[[[(1,1-dioxo-3-thiolanyl)amino]-oxomethyl]amino]-3-methyl-N-(2-pyridinyl)butanamide IUPAC Name: (2S)-2-[(1,1-dioxothiolan-3-yl)carbamoylamino]-3-methyl-N-pyridin-2-ylbutanamide Traditional Name: (2S)-2-[(1,1-diketothiolan-3-yl)carbamoylamino]-3-methyl-N-(2-pyridyl)butyramide Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=N1)NC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC=N1)NC(=O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C15H22N4O4S/c1-10(2)13(14(20)18-12-5-3-4-7-16-12)19-15(21)17-11-6-8-24(22,23)9-11/h3-5,7,10-11,13H,6,8-9H2,1-2H3,(H,16,18,20)(H2,17,19,21)/t11?,13-/m0/s1