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

Systemtic Name: 3,5-bis(chloranyl)-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3,5-dichloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3,5-dichloro-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3,5-dichloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3,5-dichloro-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C17H13Cl2N3O2S MolecularWeight: 394.27502

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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)CC#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N)Cl

InChI

InChI=1S/C17H13Cl2N3O2S/c1-24-15-13(18)8-11(9-14(15)19)16(23)22-17(25)21-12-4-2-10(3-5-12)6-7-20/h2-5,8-9H,6H2,1H3,(H2,21,22,23,25)