3,5-bis(bromanyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C18H15Br2N3O2S2 MolecularWeight: 529.2686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br)Br

InChI

InChI=1S/C18H15Br2N3O2S2/c1-25-15-11(6-9(19)7-13(15)20)16(24)22-18(26)23-17-12(8-21)10-4-2-3-5-14(10)27-17/h6-7H,2-5H2,1H3,(H2,22,23,24,26)