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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=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)9-10-17-16(21)19-18-15(20)8-7-14-6-4-5-13(3)11-14/h4-8,11-12H,9-10H2,1-3H3,(H,18,20)(H2,17,19,21)/b8-7+