1-(hexanoylamino)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(hexanoylamino)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(hexanoylamino)thiourea CAS Name: 1-(1-oxohexylamino)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(hexanoylamino)thiourea Traditional Name: 1-benzyl-3-(caproylamino)thiourea Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3OS/c1-2-3-5-10-13(18)16-17-14(19)15-11-12-8-6-4-7-9-12/h4,6-9H,2-3,5,10-11H2,1H3,(H,16,18)(H2,15,17,19)