N-(furan-2-ylmethyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(2-furylmethyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(2-furanylmethyl)-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-furfuryl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)SC2=C(C=C1)C)C

InChI

InChI=1S/C22H20N2O2S/c1-13-6-7-14(2)21-20(13)15(3)24-18-11-16(8-9-19(18)27-21)22(25)23-12-17-5-4-10-26-17/h4-11H,12H2,1-3H3,(H,23,25)