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

Systemtic Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]benzamide CAS Name: 2-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl-methylamino]benzamide Traditional Name: N-benzyl-2-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoyl-methyl-amino]benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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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=CC=C3Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C25H22ClN3O2S/c1-29(25(32)28-23(30)16-15-19-11-5-7-13-21(19)26)22-14-8-6-12-20(22)24(31)27-17-18-9-3-2-4-10-18/h2-16H,17H2,1H3,(H,27,31)(H,28,30,32)/b16-15+