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

Systemtic Name: 1-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-3-pentyl-thiourea Openeye Name: 1-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-3-pentylthiourea IUPAC Name: 1-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]thiourea Formula: C16H22BrN3O2S MolecularWeight: 400.33378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C=CC1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCCCCNC(=S)NNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C16H22BrN3O2S/c1-3-4-5-10-18-16(23)20-19-15(21)9-6-12-11-13(17)7-8-14(12)22-2/h6-9,11H,3-5,10H2,1-2H3,(H,19,21)(H2,18,20,23)/b9-6+