N,N-diethyl-3-[(4-ethylpiperazin-1-yl)methyl]-1-(2-methoxyphenyl)-2-sulfanylidene-benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-3-[(4-ethylpiperazin-1-yl)methyl]-1-(2-methoxyphenyl)-2-sulfanylidene-benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-3-[(4-ethylpiperazin-1-yl)methyl]-1-(2-methoxyphenyl)-2-thioxo-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-3-[(4-ethyl-1-piperazinyl)methyl]-1-(2-methoxyphenyl)-2-sulfanylidene-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-3-[(4-ethylpiperazin-1-yl)methyl]-1-(2-methoxyphenyl)-2-sulfanylidenebenzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-3-[(4-ethylpiperazino)methyl]-1-(2-methoxyphenyl)-2-thioxo-benzimidazole-5-sulfonamide Formula: C25H35N5O3S2 MolecularWeight: 517.7071

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)N(C2=S)C4=CC=CC=C4OC

Isomeric SMILES

CCN1CCN(CC1)CN2C3=C(C=CC(=C3)S(=O)(=O)N(CC)CC)N(C2=S)C4=CC=CC=C4OC

InChI

InChI=1S/C25H35N5O3S2/c1-5-26-14-16-27(17-15-26)19-29-23-18-20(35(31,32)28(6-2)7-3)12-13-21(23)30(25(29)34)22-10-8-9-11-24(22)33-4/h8-13,18H,5-7,14-17,19H2,1-4H3