2-bromanyl-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide

Systemtic Name: 2-bromanyl-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide Openeye Name: 2-bromo-N-(2,6-diisopropylphenyl)-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide CAS Name: 2-bromo-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzothiepin-11-carboxamide IUPAC Name: 2-bromo-N-[2,6-di(propan-2-yl)phenyl]-6,11-dihydrobenzo[c][1]benzothiepine-11-carboxamide Traditional Name: 2-bromo-N-(2,6-diisopropylphenyl)-6,11-dihydrobenzo[c][1]benzothiepin-11-carboxamide Formula: C27H28BrNOS MolecularWeight: 494.48632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3CSC4=C2C=C(C=C4)Br

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C2C3=CC=CC=C3CSC4=C2C=C(C=C4)Br

InChI

InChI=1S/C27H28BrNOS/c1-16(2)20-10-7-11-21(17(3)4)26(20)29-27(30)25-22-9-6-5-8-18(22)15-31-24-13-12-19(28)14-23(24)25/h5-14,16-17,25H,15H2,1-4H3,(H,29,30)