(E)-N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)C=CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23ClN2O3S/c1-21(2,3)14-11-16(22)19(26)17(12-14)23-20(28)24-18(25)10-7-13-5-8-15(27-4)9-6-13/h5-12,26H,1-4H3,(H2,23,24,25,28)/b10-7+