3-chloranyl-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-phenyl-1,5-benzothiazepin-4-one

Systemtic Name: 3-chloranyl-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-phenyl-1,5-benzothiazepin-4-one Openeye Name: 3-chloro-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-phenyl-1,5-benzothiazepin-4-one CAS Name: 3-chloro-5-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-2-phenyl-1,5-benzothiazepin-4-one IUPAC Name: 3-chloro-5-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-2-phenyl-1,5-benzothiazepin-4-one Traditional Name: 3-chloro-5-[3-[4-(2-hydroxyethyl)piperazino]propyl]-2-phenyl-1,5-benzothiazepin-4-one Formula: C24H28ClN3O2S MolecularWeight: 458.01602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC(=C(C2=O)Cl)C4=CC=CC=C4)CCO

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC(=C(C2=O)Cl)C4=CC=CC=C4)CCO

InChI

InChI=1S/C24H28ClN3O2S/c25-22-23(19-7-2-1-3-8-19)31-21-10-5-4-9-20(21)28(24(22)30)12-6-11-26-13-15-27(16-14-26)17-18-29/h1-5,7-10,29H,6,11-18H2