1-[2-(2,2-dimethyl-1H-benzo[e][1]benzothiol-9-yl)ethyl]-1-methyl-3-propyl-urea

Systemtic Name: 1-[2-(2,2-dimethyl-1H-benzo[e][1]benzothiol-9-yl)ethyl]-1-methyl-3-propyl-urea Openeye Name: 1-[2-(2,2-dimethyl-1H-benzo[e]benzothiophen-9-yl)ethyl]-1-methyl-3-propyl-urea CAS Name: 1-[2-(2,2-dimethyl-1H-benzo[e][1]benzothiol-9-yl)ethyl]-1-methyl-3-propylurea IUPAC Name: 1-[2-(2,2-dimethyl-1H-benzo[e][1]benzothiol-9-yl)ethyl]-1-methyl-3-propylurea Traditional Name: 1-[2-(2,2-dimethyl-1H-benzo[e]benzothiophen-9-yl)ethyl]-1-methyl-3-propyl-urea Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N(C)CCC1=CC=CC2=C1C3=C(C=C2)SC(C3)(C)C

Isomeric SMILES

CCCNC(=O)N(C)CCC1=CC=CC2=C1C3=C(C=C2)SC(C3)(C)C

InChI

InChI=1S/C21H28N2OS/c1-5-12-22-20(24)23(4)13-11-16-8-6-7-15-9-10-18-17(19(15)16)14-21(2,3)25-18/h6-10H,5,11-14H2,1-4H3,(H,22,24)