1-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[(E)-3-(3-fluoranyl-4-methoxy-phenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[(E)-3-(3-fluoro-4-methoxy-phenyl)prop-2-enoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[(E)-3-(3-fluoro-4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[(E)-3-(3-fluoro-4-methoxy-phenyl)acryloyl]amino]-3-isoamyl-thiourea Formula: C16H22FN3O2S MolecularWeight: 339.428183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C=CC1=CC(=C(C=C1)OC)F

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)/C=C/C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C16H22FN3O2S/c1-11(2)8-9-18-16(23)20-19-15(21)7-5-12-4-6-14(22-3)13(17)10-12/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H2,18,20,23)/b7-5+