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

Systemtic Name: 1-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-3-isoamyl-thiourea Formula: C16H22BrN3OS MolecularWeight: 384.33438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NNC(=S)NCCC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)NNC(=S)NCCC(C)C)Br

InChI

InChI=1S/C16H22BrN3OS/c1-11(2)8-9-18-16(22)20-19-15(21)7-6-13-5-4-12(3)10-14(13)17/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H2,18,20,22)/b7-6+