N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[oxo-[[(1-oxopentylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[(pentanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[(valerylthiocarbamoylamino)carbamoyl]phenyl]cyclopropanecarboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-2-3-4-14(22)19-17(25)21-20-16(24)12-7-9-13(10-8-12)18-15(23)11-5-6-11/h7-11H,2-6H2,1H3,(H,18,23)(H,20,24)(H2,19,21,22,25)