N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-3-methyl-butanamide

Systemtic Name: N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-3-methyl-butanamide Openeye Name: N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-3-methyl-butanamide CAS Name: N-[2,5-dimethoxy-4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-3-methylbutanamide Traditional Name: N-[2,5-dimethoxy-4-(phenethylthiocarbamoylamino)phenyl]-3-methyl-butyramide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1OC)NC(=S)NCCC2=CC=CC=C2)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1OC)NC(=S)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H29N3O3S/c1-15(2)12-21(26)24-17-13-20(28-4)18(14-19(17)27-3)25-22(29)23-11-10-16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3,(H,24,26)(H2,23,25,29)