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

Systemtic Name: N-[3-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Openeye Name: N-[3-[3-(4-isopropylphenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide CAS Name: N-[3-[[[[1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]-sulfanylidenemethyl]amino]phenyl]pentanamide IUPAC Name: N-[3-[3-(4-propan-2-ylphenyl)prop-2-enoylcarbamothioylamino]phenyl]pentanamide Traditional Name: N-[3-[(3-p-cumenylacryloyl)thiocarbamoylamino]phenyl]valeramide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O2S/c1-4-5-9-22(28)25-20-7-6-8-21(16-20)26-24(30)27-23(29)15-12-18-10-13-19(14-11-18)17(2)3/h6-8,10-17H,4-5,9H2,1-3H3,(H,25,28)(H2,26,27,29,30)