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

Systemtic Name: 1-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenyl-urea Openeye Name: 1-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-phenyl-urea CAS Name: 1-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylurea IUPAC Name: 1-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-phenylurea Traditional Name: 1-(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-phenyl-urea Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-4-21(2,3)14-10-11-16-17(13-22)19(26-18(16)12-14)24-20(25)23-15-8-6-5-7-9-15/h5-9,14H,4,10-12H2,1-3H3,(H2,23,24,25)