N-(1,3-benzodioxol-5-ylmethyl)-2-[(5R)-3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5R)-3-butyl-2-butylimino-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5R)-3-butyl-2-butylimino-4-oxo-thiazolidin-5-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5R)-3-butyl-2-butylimino-4-oxo-5-thiazolidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5R)-3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl]acetamide Traditional Name: 2-[(5R)-3-butyl-2-butylimino-4-keto-thiazolidin-5-yl]-N-piperonyl-acetamide Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=O)C(S1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CCCC

Isomeric SMILES

CCCCN=C1N(C(=O)[C@H](S1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CCCC

InChI

InChI=1S/C21H29N3O4S/c1-3-5-9-22-21-24(10-6-4-2)20(26)18(29-21)12-19(25)23-13-15-7-8-16-17(11-15)28-14-27-16/h7-8,11,18H,3-6,9-10,12-14H2,1-2H3,(H,23,25)/t18-/m1/s1