N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]thiazole-4-carboxamide CAS Name: N-[4-[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiazolecarboxamide IUPAC Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-[(4-tert-butylbenzyl)thiocarbamoylamino]phenyl]thiazole-4-carboxamide Formula: C22H24N4OS2 MolecularWeight: 424.58216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSC=N3

InChI

InChI=1S/C22H24N4OS2/c1-22(2,3)16-6-4-15(5-7-16)12-23-21(28)26-18-10-8-17(9-11-18)25-20(27)19-13-29-14-24-19/h4-11,13-14H,12H2,1-3H3,(H,25,27)(H2,23,26,28)