2-(aminocarbonylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-methylsulfanyl-butanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-(methylthio)butanamide IUPAC Name: 2-(carbamoylamino)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-methylsulfanylbutanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methylthio)-2-ureido-butyramide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H25N5O2S/c1-30-13-12-19(25-22(23)29)21(28)24-14-17-15-27(18-10-6-3-7-11-18)26-20(17)16-8-4-2-5-9-16/h2-11,15,19H,12-14H2,1H3,(H,24,28)(H3,23,25,29)