N-(2-azanylethyl)-3-[2-[[2-methyl-3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyl]amino]ethyl]naphthalene-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-3-[2-[[2-methyl-3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyl]amino]ethyl]naphthalene-2-carboxamide Openeye Name: N-(2-aminoethyl)-3-[2-[[2-methyl-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyl]amino]ethyl]naphthalene-2-carboxamide CAS Name: N-(2-aminoethyl)-3-[2-[[2-methyl-1-oxo-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propyl]amino]ethyl]-2-naphthalenecarboxamide IUPAC Name: N-(2-aminoethyl)-3-[2-[[2-methyl-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanoyl]amino]ethyl]naphthalene-2-carboxamide Traditional Name: N-(2-aminoethyl)-3-[2-[[3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-methyl-propanoyl]amino]ethyl]-2-naphthamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)CCSC2=CC=CC=C21)C(=O)NCCC3=CC4=CC=CC=C4C=C3C(=O)NCCN

Isomeric SMILES

CC(CN1C(=O)CCSC2=CC=CC=C21)C(=O)NCCC3=CC4=CC=CC=C4C=C3C(=O)NCCN

InChI

InChI=1S/C28H32N4O3S/c1-19(18-32-24-8-4-5-9-25(24)36-15-11-26(32)33)27(34)30-13-10-22-16-20-6-2-3-7-21(20)17-23(22)28(35)31-14-12-29/h2-9,16-17,19H,10-15,18,29H2,1H3,(H,30,34)(H,31,35)