1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea

Systemtic Name: 1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea Openeye Name: 1-[3-(2-chlorophenyl)-5,6-dimethyl-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea CAS Name: 1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea IUPAC Name: 1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea Traditional Name: 1-[3-(2-chlorophenyl)-5,6-dimethyl-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea Formula: C27H27ClN2OS MolecularWeight: 463.03408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=C(C3=CC(=C(C=C3S2)C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=C(C3=CC(=C(C=C3S2)C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C27H27ClN2OS/c1-5-18-10-9-11-19(6-2)25(18)29-27(31)30-26-24(20-12-7-8-13-22(20)28)21-14-16(3)17(4)15-23(21)32-26/h7-15H,5-6H2,1-4H3,(H2,29,30,31)