(5-methyl-1,2-oxazol-3-yl)-[4-[(phenylmethyl)carbamothioylamino]phenyl]sulfonyl-azanide

Systemtic Name: (5-methyl-1,2-oxazol-3-yl)-[4-[(phenylmethyl)carbamothioylamino]phenyl]sulfonyl-azanide Openeye Name: [4-(benzylcarbamothioylamino)phenyl]sulfonyl-(5-methylisoxazol-3-yl)azanide CAS Name: (5-methyl-3-isoxazolyl)-[4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]phenyl]sulfonylazanide IUPAC Name: [4-(benzylcarbamothioylamino)phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide Traditional Name: [4-(benzylthiocarbamoylamino)phenyl]sulfonyl-(5-methylisoxazol-3-yl)azanide Formula: C18H17N4O3S2- MolecularWeight: 401.48258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O3S2/c1-13-11-17(21-25-13)22-27(23,24)16-9-7-15(8-10-16)20-18(26)19-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H3,19,20,21,22,26)/p-1