5-[(4-aminophenyl)methyl]-2-(2-hydroxyethyl)-1,5-benzothiazepin-4-one

Systemtic Name: 5-[(4-aminophenyl)methyl]-2-(2-hydroxyethyl)-1,5-benzothiazepin-4-one Openeye Name: 5-[(4-aminophenyl)methyl]-2-(2-hydroxyethyl)-1,5-benzothiazepin-4-one CAS Name: 5-[(4-aminophenyl)methyl]-2-(2-hydroxyethyl)-1,5-benzothiazepin-4-one IUPAC Name: 5-[(4-aminophenyl)methyl]-2-(2-hydroxyethyl)-1,5-benzothiazepin-4-one Traditional Name: 5-(4-aminobenzyl)-2-(2-hydroxyethyl)-1,5-benzothiazepin-4-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C=C(S2)CCO)CC3=CC=C(C=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)C=C(S2)CCO)CC3=CC=C(C=C3)N

InChI

InChI=1S/C18H18N2O2S/c19-14-7-5-13(6-8-14)12-20-16-3-1-2-4-17(16)23-15(9-10-21)11-18(20)22/h1-8,11,21H,9-10,12,19H2