N-[4-[[2-(2-azanylethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[2-(2-azanylethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[2-(2-aminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[2-(2-aminoethyl)-2H-1,5-benzothiazepin-5-yl]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[2-(2-aminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[2-(2-aminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-methyl-benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3C=CC(SC4=CC=CC=C43)CCN

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3C=CC(SC4=CC=CC=C43)CCN

InChI

InChI=1S/C26H25N3O2S/c1-18-6-2-3-7-22(18)25(30)28-20-12-10-19(11-13-20)26(31)29-17-15-21(14-16-27)32-24-9-5-4-8-23(24)29/h2-13,15,17,21H,14,16,27H2,1H3,(H,28,30)