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

Systemtic Name: 1-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-chlorophenyl)urea Openeye Name: 1-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(2-chlorophenyl)urea CAS Name: 1-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-chlorophenyl)urea IUPAC Name: 1-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-chlorophenyl)urea Traditional Name: 1-[(6R)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(2-chlorophenyl)urea Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H22ClN3OS/c1-20(2,3)12-8-9-13-14(11-22)18(26-17(13)10-12)24-19(25)23-16-7-5-4-6-15(16)21/h4-7,12H,8-10H2,1-3H3,(H2,23,24,25)/t12-/m1/s1