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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=CC=C1)NC(=O)NC2CCS(=O)(=O)C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CN=CC=C1)NC(=O)NC2CCS(=O)(=O)C2

InChI

InChI=1S/C15H22N4O4S/c1-10(2)13(14(20)17-11-4-3-6-16-8-11)19-15(21)18-12-5-7-24(22,23)9-12/h3-4,6,8,10,12-13H,5,7,9H2,1-2H3,(H,17,20)(H2,18,19,21)/t12?,13-/m0/s1