6-bromanyl-N-[3-(dimethylamino)propyl]benzo[e][1]benzothiole-4-carboxamide

Systemtic Name: 6-bromanyl-N-[3-(dimethylamino)propyl]benzo[e][1]benzothiole-4-carboxamide Openeye Name: 6-bromo-N-[3-(dimethylamino)propyl]benzo[e]benzothiophene-4-carboxamide CAS Name: 6-bromo-N-[3-(dimethylamino)propyl]-4-benzo[e][1]benzothiolecarboxamide IUPAC Name: 6-bromo-N-[3-(dimethylamino)propyl]benzo[e][1]benzothiole-4-carboxamide Traditional Name: 6-bromo-N-[3-(dimethylamino)propyl]benzo[e]benzothiophene-4-carboxamide Formula: C18H19BrN2OS MolecularWeight: 391.32526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=O)C1=C2C(=C3C=CC=C(C3=C1)Br)C=CS2

Isomeric SMILES

CN(C)CCCNC(=O)C1=C2C(=C3C=CC=C(C3=C1)Br)C=CS2

InChI

InChI=1S/C18H19BrN2OS/c1-21(2)9-4-8-20-18(22)15-11-14-12(5-3-6-16(14)19)13-7-10-23-17(13)15/h3,5-7,10-11H,4,8-9H2,1-2H3,(H,20,22)