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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CN3CCCSC4=CC=CC=C43

InChI

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