ethyl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O3S/c1-2-26-18(25)22-10-8-21(9-11-22)16(24)13-27-17-20-15(12-23(17)19)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13,19H2,1H3