1-(octanoylamino)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(octanoylamino)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(octanoylamino)thiourea CAS Name: 1-(1-oxooctylamino)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(octanoylamino)thiourea Traditional Name: 1-benzyl-3-(caprylylamino)thiourea Formula: C16H25N3OS MolecularWeight: 307.4542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3OS/c1-2-3-4-5-9-12-15(20)18-19-16(21)17-13-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,18,20)(H2,17,19,21)