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

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-ethyl-N-phenyl-benzamide Openeye Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-ethyl-N-phenyl-benzamide CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-ethyl-N-phenylbenzamide IUPAC Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-ethyl-N-phenylbenzamide Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N-ethyl-N-phenyl-benzamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC=C2)NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H22ClN3O2S/c1-2-29(22-9-4-3-5-10-22)24(31)19-7-6-8-21(17-19)27-25(32)28-23(30)16-13-18-11-14-20(26)15-12-18/h3-17H,2H2,1H3,(H2,27,28,30,32)/b16-13+