N-butan-2-yl-N-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyridin-3-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-butan-2-yl-N-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-pyridin-3-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-(benzylamino)-2-oxo-1-(3-pyridyl)ethyl]-N-sec-butyl-thiadiazole-4-carboxamide CAS Name: N-butan-2-yl-N-[2-oxo-2-[(phenylmethyl)amino]-1-(3-pyridinyl)ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-[2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-butan-2-ylthiadiazole-4-carboxamide Traditional Name: N-[2-(benzylamino)-2-keto-1-(3-pyridyl)ethyl]-N-sec-butyl-thiadiazole-4-carboxamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C(C1=CN=CC=C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CSN=N3

Isomeric SMILES

CCC(C)N(C(C1=CN=CC=C1)C(=O)NCC2=CC=CC=C2)C(=O)C3=CSN=N3

InChI

InChI=1S/C21H23N5O2S/c1-3-15(2)26(21(28)18-14-29-25-24-18)19(17-10-7-11-22-13-17)20(27)23-12-16-8-5-4-6-9-16/h4-11,13-15,19H,3,12H2,1-2H3,(H,23,27)