N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]thiophene-2-carboxamide Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H20N4O3S2/c1-11(2)10-15(23)19-13-7-5-12(6-8-13)16(24)21-22-18(26)20-17(25)14-4-3-9-27-14/h3-9,11H,10H2,1-2H3,(H,19,23)(H,21,24)(H2,20,22,25,26)