4-morpholin-4-yl-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c26-19(21-20-23-22-18(30-20)12-14-4-2-1-3-5-14)15-6-7-16(17(13-15)25(27)28)24-8-10-29-11-9-24/h1-7,13H,8-12H2,(H,21,23,26)