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

Systemtic Name: N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide Openeye Name: N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide CAS Name: N-[[(4-tert-butylphenoxy)methylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[(4-tert-butylphenoxy)methylcarbamothioyl]pyridine-3-carboxamide Traditional Name: N-[(4-tert-butylphenoxy)methylthiocarbamoyl]nicotinamide Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-18(2,3)14-6-8-15(9-7-14)23-12-20-17(24)21-16(22)13-5-4-10-19-11-13/h4-11H,12H2,1-3H3,(H2,20,21,22,24)