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

Systemtic Name: 1-ethyl-3-[3-[4-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1-benzothiophen-2-yl]urea Openeye Name: 1-ethyl-3-[3-[4-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpiperazine-1-carbonyl]benzothiophen-2-yl]urea CAS Name: 1-ethyl-3-[3-[[4-[3-(2-methyl-4-pyrimidinyl)phenyl]sulfonyl-1-piperazinyl]-oxomethyl]-1-benzothiophen-2-yl]urea IUPAC Name: 1-ethyl-3-[3-[4-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpiperazine-1-carbonyl]-1-benzothiophen-2-yl]urea Traditional Name: 1-ethyl-3-[3-[4-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpiperazine-1-carbonyl]benzothiophen-2-yl]urea Formula: C27H28N6O4S2 MolecularWeight: 564.67902

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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=CC(=C4)C5=NC(=NC=C5)C

Isomeric SMILES

CCNC(=O)NC1=C(C2=CC=CC=C2S1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)C5=NC(=NC=C5)C

InChI

InChI=1S/C27H28N6O4S2/c1-3-28-27(35)31-25-24(21-9-4-5-10-23(21)38-25)26(34)32-13-15-33(16-14-32)39(36,37)20-8-6-7-19(17-20)22-11-12-29-18(2)30-22/h4-12,17H,3,13-16H2,1-2H3,(H2,28,31,35)