2-methyl-N-(4-nitrophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide

Systemtic Name: 2-methyl-N-(4-nitrophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 2-methyl-N-(4-nitrophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinecarboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O3S/c1-15-14-25(21-23-19(24-31-21)13-16-5-3-2-4-6-16)11-12-26(15)20(28)22-17-7-9-18(10-8-17)27(29)30/h2-10,15H,11-14H2,1H3,(H,22,28)