2-[2-[(2-fluorophenyl)methylamino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(2-fluorophenyl)methylamino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(2-fluorophenyl)methylamino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-fluorophenyl)methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(2-fluorophenyl)methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(2-fluorobenzyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H20FN3O2S MolecularWeight: 361.433703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCC3=CC=CC=C3F)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CNCC3=CC=CC=C3F)C(=O)N

InChI

InChI=1S/C18H20FN3O2S/c19-13-7-3-1-5-11(13)9-21-10-15(23)22-18-16(17(20)24)12-6-2-4-8-14(12)25-18/h1,3,5,7,21H,2,4,6,8-10H2,(H2,20,24)(H,22,23)