2-[[2-[2-(2-azanylbutoxy)ethanoyl-methyl-amino]-3-phenylmethoxy-propanoyl]-methyl-amino]-N-methyl-3-thiophen-2-yl-propanamide

Systemtic Name: 2-[[2-[2-(2-azanylbutoxy)ethanoyl-methyl-amino]-3-phenylmethoxy-propanoyl]-methyl-amino]-N-methyl-3-thiophen-2-yl-propanamide Openeye Name: 2-[[2-[[2-(2-aminobutoxy)acetyl]-methyl-amino]-3-benzyloxy-propanoyl]-methyl-amino]-N-methyl-3-(2-thienyl)propanamide CAS Name: 2-[[2-[[2-(2-aminobutoxy)-1-oxoethyl]-methylamino]-1-oxo-3-phenylmethoxypropyl]-methylamino]-N-methyl-3-thiophen-2-ylpropanamide IUPAC Name: 2-[[2-[[2-(2-aminobutoxy)acetyl]-methylamino]-3-phenylmethoxypropanoyl]-methylamino]-N-methyl-3-thiophen-2-ylpropanamide Traditional Name: 2-[[2-[[2-(2-aminobutoxy)acetyl]-methyl-amino]-3-benzoxy-propanoyl]-methyl-amino]-N-methyl-3-(2-thienyl)propionamide Formula: C26H38N4O5S MolecularWeight: 518.66872

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC(=O)N(C)C(COCC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CS2)C(=O)NC)N

Isomeric SMILES

CCC(COCC(=O)N(C)C(COCC1=CC=CC=C1)C(=O)N(C)C(CC2=CC=CS2)C(=O)NC)N

InChI

InChI=1S/C26H38N4O5S/c1-5-20(27)16-35-18-24(31)29(3)23(17-34-15-19-10-7-6-8-11-19)26(33)30(4)22(25(32)28-2)14-21-12-9-13-36-21/h6-13,20,22-23H,5,14-18,27H2,1-4H3,(H,28,32)