N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]cyclopropanecarboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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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)C2CC2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2CC2

InChI

InChI=1S/C17H22N4O3S/c1-10(2)9-14(22)18-13-7-5-12(6-8-13)16(24)20-21-17(25)19-15(23)11-3-4-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,18,22)(H,20,24)(H2,19,21,23,25)