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

Systemtic Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-cyclohexyl-benzamide Openeye Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-cyclohexyl-benzamide CAS Name: 4-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-cyclohexylbenzamide IUPAC Name: 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-cyclohexylbenzamide Traditional Name: 4-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N-cyclohexyl-benzamide Formula: C23H24ClN3O2S MolecularWeight: 441.97356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H24ClN3O2S/c24-18-11-6-16(7-12-18)8-15-21(28)27-23(30)26-20-13-9-17(10-14-20)22(29)25-19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,25,29)(H2,26,27,28,30)/b15-8+