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

Systemtic Name: ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-thiophen-2-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-benzamido-4,5-dimethyl-3-thienyl)-(2-thienyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-benzamido-4,5-dimethyl-3-thiophenyl)-thiophen-2-ylmethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)-thiophen-2-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(2-benzamido-4,5-dimethyl-3-thienyl)-(2-thienyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CC=CS2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CC=CS2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S2/c1-4-31-25(30)28-14-12-27(13-15-28)22(20-11-8-16-32-20)21-17(2)18(3)33-24(21)26-23(29)19-9-6-5-7-10-19/h5-11,16,22H,4,12-15H2,1-3H3,(H,26,29)