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

Systemtic Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-prop-2-enylbenzamide IUPAC Name: 2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-prop-2-enylbenzamide Traditional Name: N-allyl-2-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-2-13-22-19(26)16-5-3-4-6-17(16)23-20(27)24-18(25)12-9-14-7-10-15(21)11-8-14/h2-12H,1,13H2,(H,22,26)(H2,23,24,25,27)/b12-9+