N-phenyl-2-(2-piperazin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-phenyl-2-(2-piperazin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-phenyl-2-[(2-piperazin-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(1-piperazinyl)ethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-phenyl-2-[(2-piperazin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-phenyl-2-[(2-piperazinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCNCC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCNCC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2S/c26-18(14-25-12-10-22-11-13-25)24-21-19(16-8-4-5-9-17(16)28-21)20(27)23-15-6-2-1-3-7-15/h1-3,6-7,22H,4-5,8-14H2,(H,23,27)(H,24,26)