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

Systemtic Name: N-[4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[4-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-3-4-19(25)22-17-10-12-18(13-11-17)23-21(27)24-20(26)14-9-16-7-5-15(2)6-8-16/h5-14H,3-4H2,1-2H3,(H,22,25)(H2,23,24,26,27)/b14-9+