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

Systemtic Name: N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-2-methyl-propanamide Openeye Name: N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-2-methyl-propanamide CAS Name: N-[2,5-dimethoxy-4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[2,5-dimethoxy-4-(phenethylcarbamothioylamino)phenyl]-2-methylpropanamide Traditional Name: N-[2,5-dimethoxy-4-(phenethylthiocarbamoylamino)phenyl]-2-methyl-propionamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-14(2)20(25)23-16-12-19(27-4)17(13-18(16)26-3)24-21(28)22-11-10-15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,23,25)(H2,22,24,28)