N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[(1-tert-butyl-2-imidazolyl)amino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(1-tert-butylimidazol-2-yl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(1-tert-butylimidazol-2-yl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C17H19N7OS2 MolecularWeight: 401.50906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CN=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

CC(C)(C)N1C=CN=C1NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C17H19N7OS2/c1-17(2,3)24-9-8-18-15(24)21-16(26)20-12-6-4-11(5-7-12)19-14(25)13-10-27-23-22-13/h4-10H,1-3H3,(H,19,25)(H2,18,20,21,26)