4-(diethylsulfamoyl)-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-(diethylsulfamoyl)-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-(diethylsulfamoyl)-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-4-(diethylsulfamoyl)benzamide IUPAC Name: 4-(diethylsulfamoyl)-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-(diethylsulfamoyl)-N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H22N6O3S3 MolecularWeight: 490.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O3S3/c1-3-26(4-2)32(28,29)16-12-10-14(11-13-16)17(27)22-19-24-25-20(31-19)23-18(30)21-15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3,(H,22,24,27)(H2,21,23,25,30)