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

Systemtic Name: 3-methyl-N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide CAS Name: 3-methyl-N-[4-[oxo-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Traditional Name: N-[4-[(hydrocinnamoylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-butyramide Formula: C22H26N4O3S MolecularWeight: 426.53184

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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)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O3S/c1-15(2)14-20(28)23-18-11-9-17(10-12-18)21(29)25-26-22(30)24-19(27)13-8-16-6-4-3-5-7-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,28)(H,25,29)(H2,24,26,27,30)