4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide

Systemtic Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Openeye Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide CAS Name: 4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(2-methoxyethyl)benzamide IUPAC Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(2-methoxyethyl)benzamide Traditional Name: 4-[[(E)-3-(4-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=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-27-13-12-22-19(26)15-5-9-17(10-6-15)23-20(28)24-18(25)11-4-14-2-7-16(21)8-3-14/h2-11H,12-13H2,1H3,(H,22,26)(H2,23,24,25,28)/b11-4+