N-[(Z)-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methylideneamino]-2-(2-oxidanylideneazepan-1-yl)ethanamide

Systemtic Name: N-[(Z)-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methylideneamino]-2-(2-oxidanylideneazepan-1-yl)ethanamide Openeye Name: N-[(Z)-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyleneamino]-2-(2-oxoazepan-1-yl)acetamide CAS Name: N-[(Z)-[1-[(3S)-1,1-dioxo-3-thiolanyl]-3,5-dimethyl-4-pyrazolyl]methylideneamino]-2-(2-oxo-1-azepanyl)acetamide IUPAC Name: N-[(Z)-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-2-(2-oxoazepan-1-yl)acetamide Traditional Name: N-[(Z)-[1-[(3S)-1,1-diketothiolan-3-yl]-3,5-dimethyl-pyrazol-4-yl]methyleneamino]-2-(2-ketoazepan-1-yl)acetamide Formula: C18H27N5O4S MolecularWeight: 409.50308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2CCS(=O)(=O)C2)C)C=NNC(=O)CN3CCCCCC3=O

Isomeric SMILES

CC1=C(C(=NN1[C@H]2CCS(=O)(=O)C2)C)/C=N\NC(=O)CN3CCCCCC3=O

InChI

InChI=1S/C18H27N5O4S/c1-13-16(14(2)23(21-13)15-7-9-28(26,27)12-15)10-19-20-17(24)11-22-8-5-3-4-6-18(22)25/h10,15H,3-9,11-12H2,1-2H3,(H,20,24)/b19-10-/t15-/m0/s1