ethyl 4-[3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[2-methylpropyl-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(3-benzyl-1,2,4-thiadiazol-5-yl)-isobutyl-amino]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCN(CC(C)C)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCN(CC(C)C)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N5O3S/c1-4-31-23(30)27-14-12-26(13-15-27)21(29)10-11-28(17-18(2)3)22-24-20(25-32-22)16-19-8-6-5-7-9-19/h5-9,18H,4,10-17H2,1-3H3