5-(aminomethyl)-N-tert-butyl-4-ethanoyl-5-phenyl-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-(aminomethyl)-N-tert-butyl-4-ethanoyl-5-phenyl-1,3,4-thiadiazole-2-carboxamide Openeye Name: 4-acetyl-5-(aminomethyl)-N-tert-butyl-5-phenyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 4-acetyl-5-(aminomethyl)-N-tert-butyl-5-phenyl-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 4-acetyl-5-(aminomethyl)-N-tert-butyl-5-phenyl-1,3,4-thiadiazole-2-carboxamide Traditional Name: 4-acetyl-5-(aminomethyl)-N-tert-butyl-5-phenyl-1,3,4-thiadiazole-2-carboxamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC(=N1)C(=O)NC(C)(C)C)(CN)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N1C(SC(=N1)C(=O)NC(C)(C)C)(CN)C2=CC=CC=C2

InChI

InChI=1S/C16H22N4O2S/c1-11(21)20-16(10-17,12-8-6-5-7-9-12)23-14(19-20)13(22)18-15(2,3)4/h5-9H,10,17H2,1-4H3,(H,18,22)