N-[2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-3-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-3-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-methyl-3-[[(E)-3-phenylacryloyl]thiocarbamoylamino]phenyl]cyclopropanecarboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H21N3O2S/c1-14-17(22-20(26)16-11-12-16)8-5-9-18(14)23-21(27)24-19(25)13-10-15-6-3-2-4-7-15/h2-10,13,16H,11-12H2,1H3,(H,22,26)(H2,23,24,25,27)/b13-10+