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

Systemtic Name: 3,8-bis[2-(dimethylamino)-2-methyl-propanoyl]benzo[b][1]benzothiepine-5,6-dione Openeye Name: 3,8-bis[2-(dimethylamino)-2-methyl-propanoyl]benzo[b][1]benzothiepine-5,6-dione CAS Name: 3,8-bis[2-(dimethylamino)-2-methyl-1-oxopropyl]benzo[b][1]benzothiepin-5,6-dione IUPAC Name: 3,8-bis[2-(dimethylamino)-2-methylpropanoyl]benzo[b][1]benzothiepine-5,6-dione Traditional Name: 3,8-bis[2-(dimethylamino)-2-methyl-propanoyl]benzo[b][1]benzothiepin-5,6-quinone Formula: C26H30N2O4S MolecularWeight: 466.5924

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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)N(C)C)C(=O)C2=O)N(C)C

Isomeric SMILES

CC(C)(C(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)C(C)(C)N(C)C)C(=O)C2=O)N(C)C

InChI

InChI=1S/C26H30N2O4S/c1-25(2,27(5)6)23(31)15-9-11-19-17(13-15)21(29)22(30)18-14-16(10-12-20(18)33-19)24(32)26(3,4)28(7)8/h9-14H,1-8H3