3-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[[4-(1,3-dithian-2-yl)benzoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[[4-(1,3-dithian-2-yl)benzoyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[4-(1,3-dithian-2-yl)benzoyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C22H27N3O4S3 MolecularWeight: 493.66248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C3SCCCS3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C22H27N3O4S3/c1-3-25(4-2)32(28,29)19-8-5-7-18(15-19)21(27)24-23-20(26)16-9-11-17(12-10-16)22-30-13-6-14-31-22/h5,7-12,15,22H,3-4,6,13-14H2,1-2H3,(H,23,26)(H,24,27)