N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-benzothiazole-2-carboxamide

Systemtic Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-benzothiazole-2-carboxamide CAS Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-benzothiazole-2-carboxamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N5OS/c1-3-27(21(28)20-25-17-11-7-8-12-18(17)29-20)19-13-14-23-22(26-19)24-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,23,24,26)/t15-/m1/s1