1-[2-(3,4-dimethylphenoxy)ethanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[2-(3,4-dimethylphenoxy)ethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]thiourea Formula: C16H25N3O2S MolecularWeight: 323.4536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)COC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)COC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C16H25N3O2S/c1-4-5-6-9-17-16(22)19-18-15(20)11-21-14-8-7-12(2)13(3)10-14/h7-8,10H,4-6,9,11H2,1-3H3,(H,18,20)(H2,17,19,22)