5-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-(3-morpholin-4-ylpropyl)imidazole-4-carboxamide

Systemtic Name: 5-azanyl-2-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]-1-(3-morpholin-4-ylpropyl)imidazole-4-carboxamide Openeye Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-1-(3-morpholinopropyl)imidazole-4-carboxamide CAS Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-[3-(4-morpholinyl)propyl]-4-imidazolecarboxamide IUPAC Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-1-(3-morpholin-4-ylpropyl)imidazole-4-carboxamide Traditional Name: 5-amino-2-[(6-bromo-1,3-benzodioxol-5-yl)thio]-1-(3-morpholinopropyl)imidazole-4-carboxamide Formula: C18H22BrN5O4S MolecularWeight: 484.36738

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C(=C(N=C2SC3=C(C=C4C(=C3)OCO4)Br)C(=O)N)N

Isomeric SMILES

C1COCCN1CCCN2C(=C(N=C2SC3=C(C=C4C(=C3)OCO4)Br)C(=O)N)N

InChI

InChI=1S/C18H22BrN5O4S/c19-11-8-12-13(28-10-27-12)9-14(11)29-18-22-15(17(21)25)16(20)24(18)3-1-2-23-4-6-26-7-5-23/h8-9H,1-7,10,20H2,(H2,21,25)