5-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide

Systemtic Name: 5-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-5-nitro-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide CAS Name: 5-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]-3-(1,3,4-thiadiazol-2-yl)-2-furancarboxamide IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-5-nitro-3-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-5-nitro-3-(1,3,4-thiadiazol-2-yl)-2-furamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(OC(=C2C3=NN=CS3)C(=O)N)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=C(OC(=C2C3=NN=CS3)C(=O)N)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C19H20N6O4S/c20-17(26)16-14(18-23-21-11-30-18)15(19(29-16)25(27)28)22-13-6-8-24(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13,22H,6-10H2,(H2,20,26)