ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-pyridin-4-yl-methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-pyridin-4-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-benzamido-4,5-dimethyl-3-thienyl)-(4-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-benzamido-4,5-dimethyl-3-thiophenyl)-pyridin-4-ylmethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-4-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(2-benzamido-4,5-dimethyl-3-thienyl)-(4-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=NC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=NC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-4-33-26(32)30-16-14-29(15-17-30)23(20-10-12-27-13-11-20)22-18(2)19(3)34-25(22)28-24(31)21-8-6-5-7-9-21/h5-13,23H,4,14-17H2,1-3H3,(H,28,31)