N-[(3-chloranyl-4-pentoxy-phenyl)carbamothioyl]-5-(dimethylaminomethyl)pyridine-3-carboxamide

Systemtic Name: N-[(3-chloranyl-4-pentoxy-phenyl)carbamothioyl]-5-(dimethylaminomethyl)pyridine-3-carboxamide Openeye Name: N-[(3-chloro-4-pentoxy-phenyl)carbamothioyl]-5-(dimethylaminomethyl)pyridine-3-carboxamide CAS Name: N-[(3-chloro-4-pentoxyanilino)-sulfanylidenemethyl]-5-(dimethylaminomethyl)-3-pyridinecarboxamide IUPAC Name: N-[(3-chloro-4-pentoxyphenyl)carbamothioyl]-5-(dimethylaminomethyl)pyridine-3-carboxamide Traditional Name: N-[(4-amoxy-3-chloro-phenyl)thiocarbamoyl]-5-(dimethylaminomethyl)nicotinamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)CN(C)C)Cl

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=CN=C2)CN(C)C)Cl

InChI

InChI=1S/C21H27ClN4O2S/c1-4-5-6-9-28-19-8-7-17(11-18(19)22)24-21(29)25-20(27)16-10-15(12-23-13-16)14-26(2)3/h7-8,10-13H,4-6,9,14H2,1-3H3,(H2,24,25,27,29)