N-[4-chloranyl-3-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: N-[4-chloranyl-3-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[3-(4-methoxyphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[[3-(4-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=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O3S/c1-3-4-19(26)23-15-8-11-17(22)18(13-15)24-21(29)25-20(27)12-7-14-5-9-16(28-2)10-6-14/h5-13H,3-4H2,1-2H3,(H,23,26)(H2,24,25,27,29)