1-butyl-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thiourea

Systemtic Name: 1-butyl-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thiourea Openeye Name: 1-butyl-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thiourea CAS Name: 1-butyl-3-[[3-(3-methyl-1-pyrazolyl)-1-oxopropyl]amino]thiourea IUPAC Name: 1-butyl-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thiourea Traditional Name: 1-butyl-3-[3-(3-methylpyrazol-1-yl)propanoylamino]thiourea Formula: C12H21N5OS MolecularWeight: 283.39304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)CCN1C=CC(=N1)C

Isomeric SMILES

CCCCNC(=S)NNC(=O)CCN1C=CC(=N1)C

InChI

InChI=1S/C12H21N5OS/c1-3-4-7-13-12(19)15-14-11(18)6-9-17-8-5-10(2)16-17/h5,8H,3-4,6-7,9H2,1-2H3,(H,14,18)(H2,13,15,19)