1-tert-butyl-3-(3-phenylsulfanylpropanoylamino)thiourea

Systemtic Name: 1-tert-butyl-3-(3-phenylsulfanylpropanoylamino)thiourea Openeye Name: 1-tert-butyl-3-(3-phenylsulfanylpropanoylamino)thiourea CAS Name: 1-tert-butyl-3-[[1-oxo-3-(phenylthio)propyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-(3-phenylsulfanylpropanoylamino)thiourea Traditional Name: 1-tert-butyl-3-[3-(phenylthio)propanoylamino]thiourea Formula: C14H21N3OS2 MolecularWeight: 311.46604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C14H21N3OS2/c1-14(2,3)15-13(19)17-16-12(18)9-10-20-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H2,15,17,19)