4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide

Systemtic Name: 4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoylamino]-N-(4-methoxyphenyl)benzamide Openeye Name: 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide CAS Name: 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide IUPAC Name: 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Traditional Name: 4-[[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C25H25N3O3S/c1-31-21-13-11-20(12-14-21)27-25(30)18-7-9-19(10-8-18)26-24(29)17-28-15-4-16-32-23-6-3-2-5-22(23)28/h2-3,5-14H,4,15-17H2,1H3,(H,26,29)(H,27,30)