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

Systemtic Name: (E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-phenyl-acrylamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-21(2,3)17-12-10-16(11-13-17)19(26)23-24-20(27)22-18(25)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,26)(H2,22,24,25,27)/b14-9+