3,8-bis(2-methyl-2-piperidin-1-yl-propanoyl)benzo[b][1]benzothiepine-5,6-dione

Systemtic Name: 3,8-bis(2-methyl-2-piperidin-1-yl-propanoyl)benzo[b][1]benzothiepine-5,6-dione Openeye Name: 3,8-bis[2-methyl-2-(1-piperidyl)propanoyl]benzo[b][1]benzothiepine-5,6-dione CAS Name: 3,8-bis[2-methyl-1-oxo-2-(1-piperidinyl)propyl]benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3,8-bis(2-methyl-2-piperidin-1-ylpropanoyl)benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3,8-bis(2-methyl-2-piperidino-propanoyl)benzo[b][1]benzothiepin-5,6-quinone Formula: C32H38N2O4S MolecularWeight: 546.72012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(C)(C)N4CCCCC4)C(=O)C2=O)N5CCCCC5

Isomeric SMILES

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(C)(C)N4CCCCC4)C(=O)C2=O)N5CCCCC5

InChI

InChI=1S/C32H38N2O4S/c1-31(2,33-15-7-5-8-16-33)29(37)21-11-13-25-23(19-21)27(35)28(36)24-20-22(12-14-26(24)39-25)30(38)32(3,4)34-17-9-6-10-18-34/h11-14,19-20H,5-10,15-18H2,1-4H3