2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C17H21N5O4S2 MolecularWeight: 423.50974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)NC3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(S2)NC3CCCCC3

InChI

InChI=1S/C17H21N5O4S2/c1-26-14-8-7-12(22(24)25)9-13(14)19-15(23)10-27-17-21-20-16(28-17)18-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H,18,20)(H,19,23)