1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexyl-urea

Systemtic Name: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexyl-urea Openeye Name: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexyl-urea CAS Name: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexylurea IUPAC Name: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexylurea Traditional Name: 1-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-3-hexyl-urea Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13

Isomeric SMILES

CCCCCCNC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13

InChI

InChI=1S/C21H26N2OS/c1-2-3-4-9-14-22-21(24)23-20-17-11-6-5-10-16(17)15-25-19-13-8-7-12-18(19)20/h5-8,10-13,20H,2-4,9,14-15H2,1H3,(H2,22,23,24)