N-(8-azanyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromanyl-thiophene-2-carboxamide

Systemtic Name: N-(8-azanyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromanyl-thiophene-2-carboxamide Openeye Name: N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromo-thiophene-2-carboxamide CAS Name: N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromo-2-thiophenecarboxamide IUPAC Name: N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromothiophene-2-carboxamide Traditional Name: N-(8-amino-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-bromo-thiophene-2-carboxamide Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)N)NC(=O)C3=CC=C(S3)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)N)NC(=O)C3=CC=C(S3)Br)OC1

InChI

InChI=1S/C14H13BrN2O3S/c15-13-3-2-12(21-13)14(18)17-9-7-11-10(6-8(9)16)19-4-1-5-20-11/h2-3,6-7H,1,4-5,16H2,(H,17,18)