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

Systemtic Name: 1-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chlorophenyl)urea Openeye Name: 1-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-chlorophenyl)urea CAS Name: 1-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chlorophenyl)urea IUPAC Name: 1-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-chlorophenyl)urea Traditional Name: 1-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS/c1-20(2,3)12-4-9-15-16(11-22)18(26-17(15)10-12)24-19(25)23-14-7-5-13(21)6-8-14/h5-8,12H,4,9-10H2,1-3H3,(H2,23,24,25)