N-[1-(2-azanylethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-methyl-3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanamide

Systemtic Name: N-[1-(2-azanylethylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-methyl-3-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)propanamide Openeye Name: N-[2-(2-aminoethylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-2-methyl-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanamide CAS Name: N-[1-(2-aminoethylamino)-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-methyl-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanamide IUPAC Name: N-[1-(2-aminoethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-methyl-3-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)propanamide Traditional Name: N-[2-(2-aminoethylamino)-2-keto-1-(2-naphthylmethyl)ethyl]-3-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)-2-methyl-propionamide Formula: C28H32N4O3S MolecularWeight: 504.64368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)CCSC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCN

Isomeric SMILES

CC(CN1C(=O)CCSC2=CC=CC=C21)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCN

InChI

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