3-azanyl-N-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]propanamide

Systemtic Name: 3-azanyl-N-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]propanamide Openeye Name: 3-amino-N-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]propanamide CAS Name: 3-amino-N-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]propanamide IUPAC Name: 3-amino-N-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]propanamide Traditional Name: 3-amino-N-[4-[(E)-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]propionamide Formula: C12H16N6O5S3 MolecularWeight: 420.48764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN)SC(=N1)S(=O)(=O)N

Isomeric SMILES

CN1/C(=N\S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN)/SC(=N1)S(=O)(=O)N

InChI

InChI=1S/C12H16N6O5S3/c1-18-11(24-12(16-18)25(14,20)21)17-26(22,23)9-4-2-8(3-5-9)15-10(19)6-7-13/h2-5H,6-7,13H2,1H3,(H,15,19)(H2,14,20,21)/b17-11+