4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-3-methyl-butanamide

Systemtic Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-3-methyl-butanamide Openeye Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-3-methyl-butanamide CAS Name: 4-[3-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]-5-(trifluoromethyl)phenyl]-3-methylbutanamide IUPAC Name: 4-[3-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)-5-(trifluoromethyl)phenyl]-3-methylbutanamide Traditional Name: 4-[3-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)-5-(trifluoromethyl)phenyl]-3-methyl-butyramide Formula: C19H22F3N3OS MolecularWeight: 397.45769

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC(=C1)NC(=S)NC2=CCCC=C2)C(F)(F)F)CC(=O)N

Isomeric SMILES

CC(CC1=CC(=CC(=C1)NC(=S)NC2=CCCC=C2)C(F)(F)F)CC(=O)N

InChI

InChI=1S/C19H22F3N3OS/c1-12(8-17(23)26)7-13-9-14(19(20,21)22)11-16(10-13)25-18(27)24-15-5-3-2-4-6-15/h3,5-6,9-12H,2,4,7-8H2,1H3,(H2,23,26)(H2,24,25,27)