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

Systemtic Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[(3-cyclohexylpropanoylthiocarbamoylamino)carbamoyl]phenyl]cyclopropanecarboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H28N4O3S/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/h9-12,14-15H,1-8,13H2,(H,22,27)(H,24,28)(H2,23,25,26,29)