2-(aminocarbonylamino)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-methylsulfanyl-butanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(methylthio)butanamide IUPAC Name: 2-(carbamoylamino)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylsulfanylbutanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(methylthio)-2-ureido-butyramide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C(CCSC)NC(=O)N

InChI

InChI=1S/C18H25N5O2S/c1-12-15(13(2)23(22-12)14-7-5-4-6-8-14)11-20-17(24)16(9-10-26-3)21-18(19)25/h4-8,16H,9-11H2,1-3H3,(H,20,24)(H3,19,21,25)