N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-methyl-3-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-methyl-3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-methyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-N-methyl-3-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c1-19-11-13-20(14-12-19)15-16-24(30)28-26(32)27-23-10-6-9-22(17-23)25(31)29(2)18-21-7-4-3-5-8-21/h3-17H,18H2,1-2H3,(H2,27,28,30,32)/b16-15+