1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-phenyl-urea

Systemtic Name: 1-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-phenyl-urea Openeye Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-phenyl-urea CAS Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-phenylurea IUPAC Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-phenylurea Traditional Name: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-3-phenyl-urea Formula: C21H17ClN2OS MolecularWeight: 380.89048

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN2OS/c22-15-10-11-20-17(13-15)18(12-14-6-4-5-9-19(14)26-20)24-21(25)23-16-7-2-1-3-8-16/h1-11,13,18H,12H2,(H2,23,24,25)