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

Systemtic Name: N-butyl-4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-butyl-4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-butyl-4-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-butyl-4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-butyl-4-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-2-3-14-23-20(27)16-8-11-17(12-9-16)24-21(28)25-19(26)13-10-15-6-4-5-7-18(15)22/h4-13H,2-3,14H2,1H3,(H,23,27)(H2,24,25,26,28)/b13-10+