3,5-diacetamido-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide

Systemtic Name: 3,5-diacetamido-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 3,5-diacetamido-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3,5-diacetamido-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3,5-diacetamido-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 3,5-diacetamido-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C21H26N4O3S MolecularWeight: 414.52114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C(=O)NCC(C2=CC=CS2)N3CCCC3)NC(=O)C

InChI

InChI=1S/C21H26N4O3S/c1-14(26)23-17-10-16(11-18(12-17)24-15(2)27)21(28)22-13-19(20-6-5-9-29-20)25-7-3-4-8-25/h5-6,9-12,19H,3-4,7-8,13H2,1-2H3,(H,22,28)(H,23,26)(H,24,27)