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

Systemtic Name: N-butan-2-yl-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]-N-sec-butyl-benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-3-14(2)23-20(27)16-9-5-7-11-18(16)24-21(28)25-19(26)13-12-15-8-4-6-10-17(15)22/h4-14H,3H2,1-2H3,(H,23,27)(H2,24,25,26,28)/b13-12+