ethyl 4-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3H-imidazo[4,5-c]pyridin-2-ylsulfanylmethyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(3H-imidazo[4,5-c]pyridin-2-ylthio)methyl]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=C(N3)C=NC=C4

InChI

InChI=1S/C21H23N5O3S/c1-2-29-21(28)26-11-9-25(10-12-26)19(27)16-5-3-15(4-6-16)14-30-20-23-17-7-8-22-13-18(17)24-20/h3-8,13H,2,9-12,14H2,1H3,(H,23,24)