N-(2-diethylaminoethyl)-N-[2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-propanamide

Systemtic Name: N-(2-diethylaminoethyl)-N-[2-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-propanamide Openeye Name: N-(2-diethylaminoethyl)-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-propanamide CAS Name: N-(2-diethylaminoethyl)-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxypropanamide IUPAC Name: N-(2-diethylaminoethyl)-N-[2-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxypropanamide Traditional Name: N-(2-diethylaminoethyl)-N-[2-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethylamino]ethyl]-3-phenethyloxy-propionamide Formula: C28H40N4O4S MolecularWeight: 528.7066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(CCNCCC1=C2C(=C(C=C1)O)NC(=O)S2)C(=O)CCOCCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCN(CCNCCC1=C2C(=C(C=C1)O)NC(=O)S2)C(=O)CCOCCC3=CC=CC=C3

InChI

InChI=1S/C28H40N4O4S/c1-3-31(4-2)18-19-32(25(34)14-21-36-20-13-22-8-6-5-7-9-22)17-16-29-15-12-23-10-11-24(33)26-27(23)37-28(35)30-26/h5-11,29,33H,3-4,12-21H2,1-2H3,(H,30,35)