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

Systemtic Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[oxo-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[(3-phenylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[(hydrocinnamoylthiocarbamoylamino)carbamoyl]phenyl]cyclopropanecarboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c26-18(13-6-14-4-2-1-3-5-14)23-21(29)25-24-20(28)16-9-11-17(12-10-16)22-19(27)15-7-8-15/h1-5,9-12,15H,6-8,13H2,(H,22,27)(H,24,28)(H2,23,25,26,29)