2-(1,3-benzodioxol-5-ylmethylamino)-2-[[4-(dimethylamino)-3-methyl-furan-2-yl]-methyl-amino]-1-nitro-butane-1-thione

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-[[4-(dimethylamino)-3-methyl-furan-2-yl]-methyl-amino]-1-nitro-butane-1-thione Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-[[4-(dimethylamino)-3-methyl-2-furyl]-methyl-amino]-1-nitro-butane-1-thione CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-[[4-(dimethylamino)-3-methyl-2-furanyl]-methylamino]-1-nitro-1-butanethione IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-2-[[4-(dimethylamino)-3-methylfuran-2-yl]-methylamino]-1-nitrobutane-1-thione Traditional Name: 2-[[4-(dimethylamino)-3-methyl-2-furyl]-methyl-amino]-1-nitro-2-(piperonylamino)butane-1-thione Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=S)[N+](=O)[O-])(NCC1=CC2=C(C=C1)OCO2)N(C)C3=C(C(=CO3)N(C)C)C

Isomeric SMILES

CCC(C(=S)[N+](=O)[O-])(NCC1=CC2=C(C=C1)OCO2)N(C)C3=C(C(=CO3)N(C)C)C

InChI

InChI=1S/C20H26N4O5S/c1-6-20(19(30)24(25)26,23(5)18-13(2)15(11-27-18)22(3)4)21-10-14-7-8-16-17(9-14)29-12-28-16/h7-9,11,21H,6,10,12H2,1-5H3