N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide

Systemtic Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-butanamide Openeye Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-butanamide CAS Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxobutanamide IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide Traditional Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-keto-4-[4-(4-nitrophenyl)piperazino]butyramide Formula: C20H26N6O4S MolecularWeight: 446.52324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4S/c1-20(2,3)18-22-23-19(31-18)21-16(27)8-9-17(28)25-12-10-24(11-13-25)14-4-6-15(7-5-14)26(29)30/h4-7H,8-13H2,1-3H3,(H,21,23,27)