N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2,4-bis(chloranyl)benzamide

Systemtic Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylindol-1-yl]ethyl]-2,4-bis(chloranyl)benzamide Openeye Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-2,4-dichloro-benzamide CAS Name: N-[2-[3-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-2,4-dichlorobenzamide IUPAC Name: N-[2-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2,4-dichlorobenzamide Traditional Name: 2,4-dichloro-N-[2-[3-[[2-keto-2-(piperonylamino)ethyl]thio]indol-1-yl]ethyl]benzamide Formula: C27H23Cl2N3O4S MolecularWeight: 556.46022

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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=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H23Cl2N3O4S/c28-18-6-7-19(21(29)12-18)27(34)30-9-10-32-14-25(20-3-1-2-4-22(20)32)37-15-26(33)31-13-17-5-8-23-24(11-17)36-16-35-23/h1-8,11-12,14H,9-10,13,15-16H2,(H,30,34)(H,31,33)