2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoyl-methyl-amino]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H25N3O3S/c1-29(26(33)28-24(30)17-14-19-12-15-21(32-2)16-13-19)23-11-7-6-10-22(23)25(31)27-18-20-8-4-3-5-9-20/h3-17H,18H2,1-2H3,(H,27,31)(H,28,30,33)/b17-14+