N-[(5-methylfuran-2-yl)methyl]-6-(3-methylthiophen-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(5-methylfuran-2-yl)methyl]-6-(3-methylthiophen-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(5-methyl-2-furyl)methyl]-6-(3-methyl-2-thienyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(5-methyl-2-furanyl)methyl]-6-(3-methyl-2-thiophenyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(5-methylfuran-2-yl)methyl]-6-(3-methylthiophen-2-yl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-6-(3-methyl-2-thienyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H20N2O2S2 MolecularWeight: 444.5685

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(O4)C)SC5=CC=CC=C52

Isomeric SMILES

CC1=C(SC=C1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(O4)C)SC5=CC=CC=C52

InChI

InChI=1S/C25H20N2O2S2/c1-15-11-12-30-24(15)23-19-5-3-4-6-21(19)31-22-10-8-17(13-20(22)27-23)25(28)26-14-18-9-7-16(2)29-18/h3-13H,14H2,1-2H3,(H,26,28)