1-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea

Systemtic Name: 1-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea Openeye Name: 1-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-3-cyclopentyl-thiourea Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NNC(=S)NC2CCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)NNC(=S)NC2CCCC2

InChI

InChI=1S/C16H20BrN3O2S/c1-22-14-8-7-12(17)10-11(14)6-9-15(21)19-20-16(23)18-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,19,21)(H2,18,20,23)/b9-6+