1-(3-methylbutyl)-3-[2-(4-phenylmethoxyphenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-(4-phenylmethoxyphenoxy)ethanoylamino]thiourea Openeye Name: 1-[[2-(4-benzyloxyphenoxy)acetyl]amino]-3-isopentyl-thiourea CAS Name: 1-(3-methylbutyl)-3-[[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]thiourea Traditional Name: 1-[[2-(4-benzoxyphenoxy)acetyl]amino]-3-isoamyl-thiourea Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)COC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3S/c1-16(2)12-13-22-21(28)24-23-20(25)15-27-19-10-8-18(9-11-19)26-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,25)(H2,22,24,28)