1-[(E)-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]urea

Systemtic Name: 1-[(E)-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]urea Openeye Name: [(E)-[7,8-dimethoxy-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]urea CAS Name: [(E)-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]urea IUPAC Name: [(E)-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]amino]urea Traditional Name: [(E)-(7,8-dimethoxy-1-tosyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)amino]urea Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=NNC(=O)N)C3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC/C(=N\NC(=O)N)/C3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C20H24N4O5S/c1-13-6-8-14(9-7-13)30(26,27)24-10-4-5-16(22-23-20(21)25)15-11-18(28-2)19(29-3)12-17(15)24/h6-9,11-12H,4-5,10H2,1-3H3,(H3,21,23,25)/b22-16+