3,5-bis(chloranyl)-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-4-methoxy-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H17Cl2N3O2S MolecularWeight: 446.34958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3)Cl

InChI

InChI=1S/C21H17Cl2N3O2S/c1-28-19-17(22)11-15(12-18(19)23)20(27)26-21(29)25-16-4-2-13(3-5-16)10-14-6-8-24-9-7-14/h2-9,11-12H,10H2,1H3,(H2,25,26,27,29)