1-(3-methylbutyl)-3-[2-[2-(phenylmethyl)phenoxy]ethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-[2-(phenylmethyl)phenoxy]ethanoylamino]thiourea Openeye Name: 1-[[2-(2-benzylphenoxy)acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-(3-methylbutyl)-3-[[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]amino]thiourea IUPAC Name: 1-[[2-(2-benzylphenoxy)acetyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[2-(2-benzylphenoxy)acetyl]amino]-3-isoamyl-thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-16(2)12-13-22-21(27)24-23-20(25)15-26-19-11-7-6-10-18(19)14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,25)(H2,22,24,27)