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

Systemtic Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide Openeye Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-propyl-benzamide CAS Name: 3-[[[[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-propylbenzamide IUPAC Name: 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]carbamothioylamino]-N-propylbenzamide Traditional Name: 3-[[(E)-3-(4-chlorophenyl)acryloyl]thiocarbamoylamino]-N-propyl-benzamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-2-12-22-19(26)15-4-3-5-17(13-15)23-20(27)24-18(25)11-8-14-6-9-16(21)10-7-14/h3-11,13H,2,12H2,1H3,(H,22,26)(H2,23,24,25,27)/b11-8+