(2R)-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: (2R)-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)propanamide Openeye Name: (2R)-2-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)propanamide CAS Name: (2R)-2-[[2-(cyclopentylamino)-2-oxoethyl]thio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)propanamide IUPAC Name: (2R)-2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide Traditional Name: (2R)-2-[[2-(cyclopentylamino)-2-keto-ethyl]thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)SCC(=O)NC3CCCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@@H](C)SCC(=O)NC3CCCC3

InChI

InChI=1S/C21H28N4O3S/c1-14-19(21(28)25(24(14)3)17-11-5-4-6-12-17)23-20(27)15(2)29-13-18(26)22-16-9-7-8-10-16/h4-6,11-12,15-16H,7-10,13H2,1-3H3,(H,22,26)(H,23,27)/t15-/m1/s1