3-methyl-N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[(2-phenylethanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[oxo-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[(2-phenylacetyl)carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[(2-phenylacetyl)thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-14(2)12-18(26)22-17-10-8-16(9-11-17)20(28)24-25-21(29)23-19(27)13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,22,26)(H,24,28)(H2,23,25,27,29)