2-[methyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[methyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[methyl-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]amino]benzamide CAS Name: 2-[methyl-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[methyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]benzamide Traditional Name: N-benzyl-2-[methyl-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]amino]benzamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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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=CS3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C23H21N3O2S2/c1-26(23(29)25-21(27)14-13-18-10-7-15-30-18)20-12-6-5-11-19(20)22(28)24-16-17-8-3-2-4-9-17/h2-15H,16H2,1H3,(H,24,28)(H,25,27,29)/b14-13+