(5-methyl-2-propan-2-yl-phenyl) N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate Openeye Name: (2-isopropyl-5-methyl-phenyl) N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate CAS Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate Traditional Name: N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C25H25NO2S MolecularWeight: 403.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)NC2C3=CC=CC=C3CSC4=CC=CC=C24

InChI

InChI=1S/C25H25NO2S/c1-16(2)19-13-12-17(3)14-22(19)28-25(27)26-24-20-9-5-4-8-18(20)15-29-23-11-7-6-10-21(23)24/h4-14,16,24H,15H2,1-3H3,(H,26,27)