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

Systemtic Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[(3-methylbutanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[(isovalerylthiocarbamoylamino)carbamoyl]phenyl]cyclopropanecarboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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