1-[4-(aminocarbonylamino)-3,6-bis(phenylsulfonylimino)cyclohexa-1,4-dien-1-yl]urea

Systemtic Name: 1-[4-(aminocarbonylamino)-3,6-bis(phenylsulfonylimino)cyclohexa-1,4-dien-1-yl]urea Openeye Name: [3,6-bis(benzenesulfonylimino)-4-ureido-cyclohexa-1,4-dien-1-yl]urea CAS Name: [3,6-bis(benzenesulfonylimino)-4-(carbamoylamino)-1-cyclohexa-1,4-dienyl]urea IUPAC Name: [3,6-bis(benzenesulfonylimino)-4-(carbamoylamino)cyclohexa-1,4-dien-1-yl]urea Traditional Name: [3,6-bis(besylimino)-4-ureido-cyclohexa-1,4-dien-1-yl]urea Formula: C20H18N6O6S2 MolecularWeight: 502.52352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=NS(=O)(=O)C3=CC=CC=C3)C=C2NC(=O)N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=NS(=O)(=O)C3=CC=CC=C3)C=C2NC(=O)N)NC(=O)N

InChI

InChI=1S/C20H18N6O6S2/c21-19(27)23-15-12-18(26-34(31,32)14-9-5-2-6-10-14)16(24-20(22)28)11-17(15)25-33(29,30)13-7-3-1-4-8-13/h1-12H,(H3,21,23,27)(H3,22,24,28)