1-[[(2S)-2-(3-bromanylphenoxy)propanoyl]amino]-3-butyl-thiourea

Systemtic Name: 1-[[(2S)-2-(3-bromanylphenoxy)propanoyl]amino]-3-butyl-thiourea Openeye Name: 1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-butyl-thiourea CAS Name: 1-[[(2S)-2-(3-bromophenoxy)-1-oxopropyl]amino]-3-butylthiourea IUPAC Name: 1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-butylthiourea Traditional Name: 1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-butyl-thiourea Formula: C14H20BrN3O2S MolecularWeight: 374.2965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C(C)OC1=CC(=CC=C1)Br

Isomeric SMILES

CCCCNC(=S)NNC(=O)[C@H](C)OC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H20BrN3O2S/c1-3-4-8-16-14(21)18-17-13(19)10(2)20-12-7-5-6-11(15)9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,19)(H2,16,18,21)/t10-/m0/s1