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

Systemtic Name: 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C29H23ClN4O2S MolecularWeight: 527.03652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C29H23ClN4O2S/c30-25-12-6-4-8-20(25)14-19-27(35)34-29(37)33-26-13-7-5-11-24(26)28(36)32-23-17-15-22(16-18-23)31-21-9-2-1-3-10-21/h1-19,31H,(H,32,36)(H2,33,34,35,37)/b19-14+