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

Systemtic Name: 1-tert-butyl-3-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)urea Openeye Name: 1-tert-butyl-3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)urea CAS Name: 1-tert-butyl-3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)urea IUPAC Name: 1-tert-butyl-3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)urea Traditional Name: 1-tert-butyl-3-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)urea Formula: C19H21ClN2OS MolecularWeight: 360.90084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2OS/c1-19(2,3)22-18(23)21-15-10-12-6-4-5-7-16(12)24-17-9-8-13(20)11-14(15)17/h4-9,11,15H,10H2,1-3H3,(H2,21,22,23)