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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-2-4-18(25)22-16-5-3-6-17(13-16)23-20(27)24-19(26)12-9-14-7-10-15(21)11-8-14/h3,5-13H,2,4H2,1H3,(H,22,25)(H2,23,24,26,27)/b12-9+