5-bromanyl-N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(4-tert-butylphenoxy)methylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(4-tert-butylphenoxy)methylthiocarbamoyl]nicotinamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCNC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCNC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C18H20BrN3O2S/c1-18(2,3)13-4-6-15(7-5-13)24-11-21-17(25)22-16(23)12-8-14(19)10-20-9-12/h4-10H,11H2,1-3H3,(H2,21,22,23,25)