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

Systemtic Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide CAS Name: N-[4-[oxo-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]butanamide IUPAC Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Traditional Name: N-[4-[(hydrocinnamoylthiocarbamoylamino)carbamoyl]phenyl]butyramide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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