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

Systemtic Name: 1-[2-(2,2-dimethyl-1-oxidanylidene-benzo[e][1]benzothiol-9-yl)ethyl]-1-methyl-3-propyl-urea Openeye Name: 1-[2-(2,2-dimethyl-1-oxo-benzo[e]benzothiophen-9-yl)ethyl]-1-methyl-3-propyl-urea CAS Name: 1-[2-(2,2-dimethyl-1-oxo-9-benzo[e][1]benzothiolyl)ethyl]-1-methyl-3-propylurea IUPAC Name: 1-[2-(2,2-dimethyl-1-oxobenzo[e][1]benzothiol-9-yl)ethyl]-1-methyl-3-propylurea Traditional Name: 1-[2-(1-keto-2,2-dimethyl-benzo[e]benzothiophen-9-yl)ethyl]-1-methyl-3-propyl-urea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-5-12-22-20(25)23(4)13-11-15-8-6-7-14-9-10-16-18(17(14)15)19(24)21(2,3)26-16/h6-10H,5,11-13H2,1-4H3,(H,22,25)