1-[3-[4-(6-chloranylpyridin-3-yl)sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea

Systemtic Name: 1-[3-[4-(6-chloranylpyridin-3-yl)sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea Openeye Name: 1-[3-[4-[(6-chloro-3-pyridyl)sulfonyl]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea CAS Name: 1-[3-[[4-[(6-chloro-3-pyridinyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]-3-ethylurea IUPAC Name: 1-[3-[4-(6-chloropyridin-3-yl)sulfonylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]-3-ethylurea Traditional Name: 1-[3-[4-[(6-chloro-3-pyridyl)sulfonyl]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea Formula: C21H22ClN5O4S2 MolecularWeight: 508.01348

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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=CN=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O4S2/c1-2-23-21(29)25-19-18(15-5-3-4-6-16(15)32-19)20(28)26-9-11-27(12-10-26)33(30,31)14-7-8-17(22)24-13-14/h3-8,13H,2,9-12H2,1H3,(H2,23,25,29)