8-bromanyl-N-cyclopropyl-6-methylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-cyclopropyl-6-methylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-cyclopropyl-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-cyclopropyl-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-bromo-N-cyclopropyl-6-methylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-cyclopropyl-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C18H15BrN2OS MolecularWeight: 387.2935

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=C(C=CC(=C2)Br)SC3=C(N1)C=C(C=C3)C(=O)NC4CC4

Isomeric SMILES

C=C1C2=C(C=CC(=C2)Br)SC3=C(N1)C=C(C=C3)C(=O)NC4CC4

InChI

InChI=1S/C18H15BrN2OS/c1-10-14-9-12(19)3-7-16(14)23-17-6-2-11(8-15(17)20-10)18(22)21-13-4-5-13/h2-3,6-9,13,20H,1,4-5H2,(H,21,22)