2-[2-[phenyl(propan-2-yl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[phenyl(propan-2-yl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(N-isopropylanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(N-propan-2-ylanilino)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(N-propan-2-ylanilino)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(N-isopropylanilino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-13(2)23(14-8-4-3-5-9-14)12-17(24)22-20-18(19(21)25)15-10-6-7-11-16(15)26-20/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H2,21,25)(H,22,24)