1-[2-(1-benzothiophen-3-yl)-6-methyl-heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea

Systemtic Name: 1-[2-(1-benzothiophen-3-yl)-6-methyl-heptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Openeye Name: 1-[2-(benzothiophen-3-yl)-6-methyl-heptyl]-3-(2,6-diisopropylphenyl)urea CAS Name: 1-[2-(1-benzothiophen-3-yl)-6-methylheptyl]-3-[2,6-di(propan-2-yl)phenyl]urea IUPAC Name: 1-[2-(1-benzothiophen-3-yl)-6-methylheptyl]-3-[2,6-di(propan-2-yl)phenyl]urea Traditional Name: 1-[2-(benzothiophen-3-yl)-6-methyl-heptyl]-3-(2,6-diisopropylphenyl)urea Formula: C29H40N2OS MolecularWeight: 464.7057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CSC3=CC=CC=C32

Isomeric SMILES

CC(C)CCCC(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C29H40N2OS/c1-19(2)11-9-12-22(26-18-33-27-16-8-7-13-25(26)27)17-30-29(32)31-28-23(20(3)4)14-10-15-24(28)21(5)6/h7-8,10,13-16,18-22H,9,11-12,17H2,1-6H3,(H2,30,31,32)