6-(5-chloranylthiophen-2-yl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(5-chloranylthiophen-2-yl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(5-chloro-2-thienyl)-N-(2-furylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(5-chloro-2-thiophenyl)-N-(2-furanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(5-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(5-chloro-2-thienyl)-N-(2-furfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H15ClN2O2S2 MolecularWeight: 450.9604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CO4)C5=CC=C(S5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(S2)C=CC(=C3)C(=O)NCC4=CC=CO4)C5=CC=C(S5)Cl

InChI

InChI=1S/C23H15ClN2O2S2/c24-21-10-9-20(30-21)22-16-5-1-2-6-18(16)29-19-8-7-14(12-17(19)26-22)23(27)25-13-15-4-3-11-28-15/h1-12H,13H2,(H,25,27)