N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCCC4)C#N

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC(=S)NC3=C(C4=C(S3)CCCCC4)C#N

InChI

InChI=1S/C22H20N4O2S2/c1-13-18(19(26-28-13)14-8-4-2-5-9-14)20(27)24-22(29)25-21-16(12-23)15-10-6-3-7-11-17(15)30-21/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,24,25,27,29)