1-[3-[4-(2-chloranylpyrimidin-5-yl)sulfanylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea

Systemtic Name: 1-[3-[4-(2-chloranylpyrimidin-5-yl)sulfanylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]-3-ethyl-urea Openeye Name: 1-[3-[4-(2-chloropyrimidin-5-yl)sulfanylpiperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea CAS Name: 1-[3-[[4-[(2-chloro-5-pyrimidinyl)thio]-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]-3-ethylurea IUPAC Name: 1-[3-[4-(2-chloropyrimidin-5-yl)sulfanylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]-3-ethylurea Traditional Name: 1-[3-[4-[(2-chloropyrimidin-5-yl)thio]piperazine-1-carbonyl]benzothiophen-2-yl]-3-ethyl-urea Formula: C20H21ClN6O2S2 MolecularWeight: 477.00274

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)SC4=CN=C(N=C4)Cl

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)SC4=CN=C(N=C4)Cl

InChI

InChI=1S/C20H21ClN6O2S2/c1-2-22-20(29)25-17-16(14-5-3-4-6-15(14)30-17)18(28)26-7-9-27(10-8-26)31-13-11-23-19(21)24-12-13/h3-6,11-12H,2,7-10H2,1H3,(H2,22,25,29)