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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-2-5-18(25)22-15-9-11-16(12-10-15)23-20(27)24-19(26)13-8-14-6-3-4-7-17(14)21/h3-4,6-13H,2,5H2,1H3,(H,22,25)(H2,23,24,26,27)/b13-8+