N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzothiophene-2-carboxamide CAS Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzothiophene-2-carboxamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H22N4OS/c1-3-27(22(28)20-15-18-11-7-8-12-19(18)29-20)21-13-14-24-23(26-21)25-16(2)17-9-5-4-6-10-17/h4-16H,3H2,1-2H3,(H,24,25,26)/t16-/m1/s1