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

Systemtic Name: 1-[[(E)-3-(3-chloranyl-4-methyl-phenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[[(E)-3-(3-chloro-4-methyl-phenyl)prop-2-enoyl]amino]-3-isopentyl-thiourea CAS Name: 1-[[(E)-3-(3-chloro-4-methylphenyl)-1-oxoprop-2-enyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[(E)-3-(3-chloro-4-methylphenyl)prop-2-enoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[[(E)-3-(3-chloro-4-methyl-phenyl)acryloyl]amino]-3-isoamyl-thiourea Formula: C16H22ClN3OS MolecularWeight: 339.88338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3OS/c1-11(2)8-9-18-16(22)20-19-15(21)7-6-13-5-4-12(3)14(17)10-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,21)(H2,18,20,22)/b7-6+