1-(3-methylbutyl)-3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]thiourea Openeye Name: 1-isopentyl-3-[[(E)-3-(o-tolyl)prop-2-enoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[(E)-3-(2-methylphenyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[(E)-3-(2-methylphenyl)prop-2-enoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[(E)-3-(o-tolyl)acryloyl]amino]thiourea Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-12(2)10-11-17-16(21)19-18-15(20)9-8-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,18,20)(H2,17,19,21)/b9-8+