3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide CAS Name: 3-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 3-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]-N-(2-methoxyethyl)benzamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

COCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-27-12-11-22-19(26)15-6-4-7-16(13-15)23-20(28)24-18(25)10-9-14-5-2-3-8-17(14)21/h2-10,13H,11-12H2,1H3,(H,22,26)(H2,23,24,25,28)/b10-9+