2-[[2-[2-(2-azanylbutoxy)ethanoyl-methyl-amino]-3-(1-benzothiophen-3-yl)propanoyl]-methyl-amino]-N-methyl-3-thiophen-2-yl-propanamide

Systemtic Name: 2-[[2-[2-(2-azanylbutoxy)ethanoyl-methyl-amino]-3-(1-benzothiophen-3-yl)propanoyl]-methyl-amino]-N-methyl-3-thiophen-2-yl-propanamide Openeye Name: 2-[[2-[[2-(2-aminobutoxy)acetyl]-methyl-amino]-3-(benzothiophen-3-yl)propanoyl]-methyl-amino]-N-methyl-3-(2-thienyl)propanamide CAS Name: 2-[[2-[[2-(2-aminobutoxy)-1-oxoethyl]-methylamino]-3-(1-benzothiophen-3-yl)-1-oxopropyl]-methylamino]-N-methyl-3-thiophen-2-ylpropanamide IUPAC Name: 2-[[2-[[2-(2-aminobutoxy)acetyl]-methylamino]-3-(1-benzothiophen-3-yl)propanoyl]-methylamino]-N-methyl-3-thiophen-2-ylpropanamide Traditional Name: 2-[[2-[[2-(2-aminobutoxy)acetyl]-methyl-amino]-3-(benzothiophen-3-yl)propanoyl]-methyl-amino]-N-methyl-3-(2-thienyl)propionamide Formula: C27H36N4O4S2 MolecularWeight: 544.72914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC(=O)N(C)C(CC1=CSC2=CC=CC=C21)C(=O)N(C)C(CC3=CC=CS3)C(=O)NC)N

Isomeric SMILES

CCC(COCC(=O)N(C)C(CC1=CSC2=CC=CC=C21)C(=O)N(C)C(CC3=CC=CS3)C(=O)NC)N

InChI

InChI=1S/C27H36N4O4S2/c1-5-19(28)15-35-16-25(32)30(3)23(13-18-17-37-24-11-7-6-10-21(18)24)27(34)31(4)22(26(33)29-2)14-20-9-8-12-36-20/h6-12,17,19,22-23H,5,13-16,28H2,1-4H3,(H,29,33)