2-(2-methoxyethylamino)-5-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 2-(2-methoxyethylamino)-5-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: 2-(2-methoxyethylamino)-5-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 2-(2-methoxyethylamino)-5-nitro-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 2-(2-methoxyethylamino)-5-nitro-N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C21H23N5O4S/c1-13(2)14-4-6-15(7-5-14)20-24-25-21(31-20)23-19(27)17-12-16(26(28)29)8-9-18(17)22-10-11-30-3/h4-9,12-13,22H,10-11H2,1-3H3,(H,23,25,27)