N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide hydrochloride

Systemtic Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide hydrochloride Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]pyridine-3-carboxamide hydrochloride CAS Name: N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide hydrochloride IUPAC Name: N-[(3-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide hydrochloride Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]nicotinamide hydrochloride Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)NC(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C20H17N3O2S.ClH/c24-19(16-8-5-11-21-13-16)23-20(26)22-17-9-4-10-18(12-17)25-14-15-6-2-1-3-7-15;/h1-13H,14H2,(H2,22,23,24,26);1H