1-(4-chlorophenyl)-3-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]urea Traditional Name: 1-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-chlorophenyl)urea Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3OS/c1-4-21(2,3)13-5-10-16-17(12-23)19(27-18(16)11-13)25-20(26)24-15-8-6-14(22)7-9-15/h6-9,13H,4-5,10-11H2,1-3H3,(H2,24,25,26)