3-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)thiocarbamoyl]-4-isoamoxy-benzamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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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)CCC3)C#N)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCC3)C#N)Br

InChI

InChI=1S/C21H22BrN3O2S2/c1-12(2)8-9-27-17-7-6-13(10-16(17)22)19(26)24-21(28)25-20-15(11-23)14-4-3-5-18(14)29-20/h6-7,10,12H,3-5,8-9H2,1-2H3,(H2,24,25,26,28)