(E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-(2-methoxyphenyl)acrylamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)17-12-9-16(10-13-17)20(27)24-25-21(29)23-19(26)14-11-15-7-5-6-8-18(15)28-4/h5-14H,1-4H3,(H,24,27)(H2,23,25,26,29)/b14-11+