N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[3-[[2-keto-2-(piperonylamino)ethyl]thio]indol-1-yl]ethyl]thiophene-2-carboxamide Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC=CS5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CN(C4=CC=CC=C43)CCNC(=O)C5=CC=CS5

InChI

InChI=1S/C25H23N3O4S2/c29-24(27-13-17-7-8-20-21(12-17)32-16-31-20)15-34-23-14-28(19-5-2-1-4-18(19)23)10-9-26-25(30)22-6-3-11-33-22/h1-8,11-12,14H,9-10,13,15-16H2,(H,26,30)(H,27,29)