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

Systemtic Name: N-[4-chloranyl-3-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide Openeye Name: N-[4-chloro-3-[3-(4-isopropylphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide CAS Name: N-[4-chloro-3-[[[[1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-chloro-3-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]phenyl]butanamide Traditional Name: N-[4-chloro-3-[(3-p-cumenylacryloyl)thiocarbamoylamino]phenyl]butyramide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O2S/c1-4-5-21(28)25-18-11-12-19(24)20(14-18)26-23(30)27-22(29)13-8-16-6-9-17(10-7-16)15(2)3/h6-15H,4-5H2,1-3H3,(H,25,28)(H2,26,27,29,30)