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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O2S/c1-11(2)8-9-18-16(23)20-19-15(21)7-4-12-10-13(17)5-6-14(12)22-3/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H2,18,20,23)/b7-4+