2-(aminocarbonylamino)-4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

Systemtic Name: 2-(aminocarbonylamino)-4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide Openeye Name: 4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-4-(methylthio)-N-[(1-phenyl-4-pyrazolyl)methyl]butanamide IUPAC Name: 2-(carbamoylamino)-4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide Traditional Name: 4-(methylthio)-N-[(1-phenylpyrazol-4-yl)methyl]-2-ureido-butyramide Formula: C16H21N5O2S MolecularWeight: 347.43524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NCC1=CN(N=C1)C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C16H21N5O2S/c1-24-8-7-14(20-16(17)23)15(22)18-9-12-10-19-21(11-12)13-5-3-2-4-6-13/h2-6,10-11,14H,7-9H2,1H3,(H,18,22)(H3,17,20,23)