1-(pentanoylamino)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(pentanoylamino)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(pentanoylamino)thiourea CAS Name: 1-(1-oxopentylamino)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(pentanoylamino)thiourea Traditional Name: 1-benzyl-3-(valerylamino)thiourea Formula: C13H19N3OS MolecularWeight: 265.37446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCCCC(=O)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H19N3OS/c1-2-3-9-12(17)15-16-13(18)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,17)(H2,14,16,18)