7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)NC1=O

InChI

InChI=1S/C18H19N5O2S/c24-16-4-11-26-15-3-2-13(12-14(15)21-16)17(25)22-7-9-23(10-8-22)18-19-5-1-6-20-18/h1-3,5-6,12H,4,7-11H2,(H,21,24)