N-[(3S)-2-oxidanylideneazepan-3-yl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-[4-(2-phenylsulfanylethanoylamino)pyrazol-1-yl]ethanamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-[4-[[1-oxo-2-(phenylthio)ethyl]amino]-1-pyrazolyl]acetamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-[4-[[2-(phenylthio)acetyl]amino]pyrazol-1-yl]acetamide Formula: C19H23N5O3S MolecularWeight: 401.48262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C19H23N5O3S/c25-17(23-16-8-4-5-9-20-19(16)27)12-24-11-14(10-21-24)22-18(26)13-28-15-6-2-1-3-7-15/h1-3,6-7,10-11,16H,4-5,8-9,12-13H2,(H,20,27)(H,22,26)(H,23,25)/t16-/m0/s1