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

Systemtic Name: 3-bromanyl-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C22H24BrN3O2S2 MolecularWeight: 506.47886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C#N)Br

InChI

InChI=1S/C22H24BrN3O2S2/c1-13(2)9-10-28-18-8-7-14(11-17(18)23)20(27)25-22(29)26-21-16(12-24)15-5-3-4-6-19(15)30-21/h7-8,11,13H,3-6,9-10H2,1-2H3,(H2,25,26,27,29)