N-[2-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[2-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Openeye Name: N-[2-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-5-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[2-methyl-5-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]phenyl]cyclopropanecarboxamide Traditional Name: N-[2-methyl-5-[[(E)-3-phenylacryloyl]thiocarbamoylamino]phenyl]cyclopropanecarboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H21N3O2S/c1-14-7-11-17(13-18(14)23-20(26)16-9-10-16)22-21(27)24-19(25)12-8-15-5-3-2-4-6-15/h2-8,11-13,16H,9-10H2,1H3,(H,23,26)(H2,22,24,25,27)/b12-8+