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

Systemtic Name: N-[4-[[2-(2-azanylethyl)-4-oxidanylidene-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[2-(2-aminoethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[2-(2-aminoethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[2-(2-aminoethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[2-(2-aminoethyl)-4-keto-1,5-benzothiazepin-5-yl]methyl]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)CN3C4=CC=CC=C4SC(=CC3=O)CCN

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN3C4=CC=CC=C4SC(=CC3=O)CCN

InChI

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