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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-3-14(2)23-20(27)16-5-4-6-18(13-16)24-21(28)25-19(26)12-9-15-7-10-17(22)11-8-15/h4-14H,3H2,1-2H3,(H,23,27)(H2,24,25,26,28)/b12-9+