N-[3-(2-methoxyphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxidanylidenepiperazin-1-yl)ethanamide

Systemtic Name: N-[3-(2-methoxyphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxidanylidenepiperazin-1-yl)ethanamide Openeye Name: N-[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(3-oxopiperazin-1-yl)acetamide CAS Name: N-[3-[(2-methoxyphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxo-1-piperazinyl)acetamide IUPAC Name: N-[3-(2-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(3-oxopiperazin-1-yl)acetamide Traditional Name: 2-(3-ketopiperazino)-N-(3-o-anisoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCNC(=O)C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)C2=C(SC3=C2CCCC3)NC(=O)CN4CCNC(=O)C4

InChI

InChI=1S/C22H25N3O4S/c1-29-16-8-4-2-6-14(16)21(28)20-15-7-3-5-9-17(15)30-22(20)24-19(27)13-25-11-10-23-18(26)12-25/h2,4,6,8H,3,5,7,9-13H2,1H3,(H,23,26)(H,24,27)