1-ethyl-3-[3-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea

Systemtic Name: 1-ethyl-3-[3-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea Openeye Name: 1-ethyl-3-[3-[4-(4-methylsulfonylphenyl)sulfonylpiperazine-1-carbonyl]benzothiophen-2-yl]urea CAS Name: 1-ethyl-3-[3-[[4-(4-methylsulfonylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]urea IUPAC Name: 1-ethyl-3-[3-[4-(4-methylsulfonylphenyl)sulfonylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]urea Traditional Name: 1-ethyl-3-[3-[4-(4-mesylphenyl)sulfonylpiperazine-1-carbonyl]benzothiophen-2-yl]urea Formula: C23H26N4O6S3 MolecularWeight: 550.67074

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H26N4O6S3/c1-3-24-23(29)25-21-20(18-6-4-5-7-19(18)34-21)22(28)26-12-14-27(15-13-26)36(32,33)17-10-8-16(9-11-17)35(2,30)31/h4-11H,3,12-15H2,1-2H3,(H2,24,25,29)