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

Systemtic Name: 3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 3-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]benzamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H23N3O2S/c1-18-10-12-19(13-11-18)14-15-23(29)28-25(31)27-22-9-5-8-21(16-22)24(30)26-17-20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H,26,30)(H2,27,28,29,31)/b15-14+