N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[(2,2-dimethylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[(pivaloylthiocarbamoylamino)carbamoyl]phenyl]cyclopropanecarboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-17(2,3)15(24)19-16(25)21-20-14(23)11-6-8-12(9-7-11)18-13(22)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,18,22)(H,20,23)(H2,19,21,24,25)