2-azanyl-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carbothioamide

Systemtic Name: 2-azanyl-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carbothioamide Openeye Name: 2-amino-N-[(4-benzyloxyphenyl)methyl]pyridine-3-carbothioamide CAS Name: 2-amino-N-[(4-phenylmethoxyphenyl)methyl]-3-pyridinecarbothioamide IUPAC Name: 2-amino-N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carbothioamide Traditional Name: 2-amino-N-(4-benzoxybenzyl)thionicotinamide Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC(=S)C3=C(N=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CNC(=S)C3=C(N=CC=C3)N

InChI

InChI=1S/C20H19N3OS/c21-19-18(7-4-12-22-19)20(25)23-13-15-8-10-17(11-9-15)24-14-16-5-2-1-3-6-16/h1-12H,13-14H2,(H2,21,22)(H,23,25)