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

Systemtic Name: 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)-N-(4-nitrophenyl)piperazine-1-carboxamide CAS Name: 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)-N-(4-nitrophenyl)piperazine-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide Formula: C20H20N6O3S MolecularWeight: 424.4762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3S/c27-19(21-16-6-8-17(9-7-16)26(28)29)24-10-12-25(13-11-24)20-22-18(23-30-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,27)