N-[4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[[[(2S)-2-methylheptyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[[(2S)-2-methylheptyl]thiocarbamoylamino]carbamoyl]phenyl]-2-furamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C21H28N4O3S/c1-3-4-5-7-15(2)14-22-21(29)25-24-19(26)16-9-11-17(12-10-16)23-20(27)18-8-6-13-28-18/h6,8-13,15H,3-5,7,14H2,1-2H3,(H,23,27)(H,24,26)(H2,22,25,29)/t15-/m0/s1