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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCNC(=S)NNC(=O)/C=C/C1=CC=CC=C1C

InChI

InChI=1S/C16H23N3OS/c1-3-4-7-12-17-16(21)19-18-15(20)11-10-14-9-6-5-8-13(14)2/h5-6,8-11H,3-4,7,12H2,1-2H3,(H,18,20)(H2,17,19,21)/b11-10+