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

Systemtic Name: N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(4-piperidylmethyl)benzothiophene-2-carboxamide CAS Name: N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-N-(4-piperidinylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(piperidin-4-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-N-(4-piperidylmethyl)benzothiophene-2-carboxamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N(CC3CCNCC3)C(=O)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC=CC(=N2)N(CC3CCNCC3)C(=O)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C27H29N5OS/c1-19(21-7-3-2-4-8-21)30-27-29-16-13-25(31-27)32(18-20-11-14-28-15-12-20)26(33)24-17-22-9-5-6-10-23(22)34-24/h2-10,13,16-17,19-20,28H,11-12,14-15,18H2,1H3,(H,29,30,31)/t19-/m1/s1