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

Systemtic Name: (E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(3,4-dimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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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(=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)17-10-8-16(9-11-17)21(28)25-26-22(31)24-20(27)13-7-15-6-12-18(29-4)19(14-15)30-5/h6-14H,1-5H3,(H,25,28)(H2,24,26,27,31)/b13-7+