5-azanyl-1-[3-(diethylamino)propyl]-2-[(6-ethylsulfanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[3-(diethylamino)propyl]-2-[(6-ethylsulfanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazole-4-carboxamide Openeye Name: 5-amino-1-[3-(diethylamino)propyl]-2-[(6-ethylsulfanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazole-4-carboxamide CAS Name: 5-amino-1-[3-(diethylamino)propyl]-2-[[6-(ethylthio)-1,3-benzodioxol-5-yl]thio]-4-imidazolecarboxamide IUPAC Name: 5-amino-1-[3-(diethylamino)propyl]-2-[(6-ethylsulfanyl-1,3-benzodioxol-5-yl)sulfanyl]imidazole-4-carboxamide Traditional Name: 5-amino-1-[3-(diethylamino)propyl]-2-[[6-(ethylthio)-1,3-benzodioxol-5-yl]thio]imidazole-4-carboxamide Formula: C20H29N5O3S2 MolecularWeight: 451.60596

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)SCC)C(=O)N)N

Isomeric SMILES

CCN(CC)CCCN1C(=C(N=C1SC2=C(C=C3C(=C2)OCO3)SCC)C(=O)N)N

InChI

InChI=1S/C20H29N5O3S2/c1-4-24(5-2)8-7-9-25-18(21)17(19(22)26)23-20(25)30-16-11-14-13(27-12-28-14)10-15(16)29-6-3/h10-11H,4-9,12,21H2,1-3H3,(H2,22,26)