N-[3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide Openeye Name: N-[3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide CAS Name: N-[3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Traditional Name: N-[3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H24N2O3S/c1-16(28)26-19-8-6-7-17(13-19)21-15-25(31-24-10-5-4-9-20(24)27-21)18-11-12-22(29-2)23(14-18)30-3/h4-14,25H,15H2,1-3H3,(H,26,28)