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

Systemtic Name: N-[3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide Openeye Name: N-[3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide CAS Name: N-[3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide IUPAC Name: N-[3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Traditional Name: N-[3-[2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Formula: C24H22N2O2S MolecularWeight: 402.50868

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S/c1-16(27)25-19-7-5-6-18(14-19)22-15-24(17-10-12-20(28-2)13-11-17)29-23-9-4-3-8-21(23)26-22/h3-14,24H,15H2,1-2H3,(H,25,27)