N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H19N3OS/c1-13-21-10-9-17(22-13)14-6-4-7-16(11-14)23-20(24)19-12-15-5-2-3-8-18(15)25-19/h4,6-7,9-12H,2-3,5,8H2,1H3,(H,23,24)