N-[bis(azanyl)methylidene]-4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide Openeye Name: N-(diaminomethylene)-4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-(diaminomethylidene)-4-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-(diaminomethylidene)-4-[4-(2-dimethylaminoethylsulfanylmethyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-(diaminomethylene)-4-[4-[(2-dimethylaminoethylthio)methyl]phenoxy]-3-mesyl-benzamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CN(C)CCSCC1=CC=C(C=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C20H26N4O4S2/c1-24(2)10-11-29-13-14-4-7-16(8-5-14)28-17-9-6-15(19(25)23-20(21)22)12-18(17)30(3,26)27/h4-9,12H,10-11,13H2,1-3H3,(H4,21,22,23,25)