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

Systemtic Name: 1-[3-(2-chlorophenyl)-5-propan-2-yl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea Openeye Name: 1-[3-(2-chlorophenyl)-5-isopropyl-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea CAS Name: 1-[3-(2-chlorophenyl)-5-propan-2-yl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea IUPAC Name: 1-[3-(2-chlorophenyl)-5-propan-2-yl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea Traditional Name: 1-[3-(2-chlorophenyl)-5-isopropyl-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea Formula: C28H29ClN2OS MolecularWeight: 477.06066

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=C(C3=C(S2)C=CC(=C3)C(C)C)C4=CC=CC=C4Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)NC2=C(C3=C(S2)C=CC(=C3)C(C)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C28H29ClN2OS/c1-5-18-10-9-11-19(6-2)26(18)30-28(32)31-27-25(21-12-7-8-13-23(21)29)22-16-20(17(3)4)14-15-24(22)33-27/h7-17H,5-6H2,1-4H3,(H2,30,31,32)