3-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[oxo-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 3-methyl-N-[4-[[[(E)-3-phenylacryloyl]thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H22N4O3S/c1-17-6-5-9-20(16-17)23(31)26-21-13-11-19(12-14-21)24(32)28-29-25(33)27-22(30)15-10-18-7-3-2-4-8-18/h2-16H,1H3,(H,26,31)(H,28,32)(H2,27,29,30,33)/b15-10+