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

Systemtic Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethyl-benzamide CAS Name: 4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N,N-diethylbenzamide Traditional Name: 4-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N,N-diethyl-benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-3-25(4-2)20(27)16-8-12-18(13-9-16)23-21(28)24-19(26)14-7-15-5-10-17(22)11-6-15/h5-14H,3-4H2,1-2H3,(H2,23,24,26,28)/b14-7+