N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[(4-tert-butylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(4-tert-butylphenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(4-tert-butylbenzyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C21H23N5OS2 MolecularWeight: 425.57022

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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=CSN=N3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS2/c1-21(2,3)15-6-4-14(5-7-15)12-22-20(28)24-17-10-8-16(9-11-17)23-19(27)18-13-29-26-25-18/h4-11,13H,12H2,1-3H3,(H,23,27)(H2,22,24,28)