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

Systemtic Name: N-[4-chloranyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[(E)-3-(2-methoxyphenyl)acryloyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C=CC2=CC=CC=C2OC

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C21H22ClN3O3S/c1-3-6-19(26)23-15-10-11-16(22)17(13-15)24-21(29)25-20(27)12-9-14-7-4-5-8-18(14)28-2/h4-5,7-13H,3,6H2,1-2H3,(H,23,26)(H2,24,25,27,29)/b12-9+