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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3OS/c1-3-4-5-10-18-16(22)20-19-15(21)9-8-13-7-6-12(2)11-14(13)17/h6-9,11H,3-5,10H2,1-2H3,(H,19,21)(H2,18,20,22)/b9-8+