(5Z)-1-cyclohexyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5Z)-1-cyclohexyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-cyclohexyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-cyclohexyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-cyclohexyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-cyclohexyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)barbituric acid Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C3CC(SC4=CC=CC=C4N3)C5=CC=CC=C5)C(=O)NC2=O

Isomeric SMILES

C1CCC(CC1)N2C(=O)/C(=C\3/CC(SC4=CC=CC=C4N3)C5=CC=CC=C5)/C(=O)NC2=O

InChI

InChI=1S/C25H25N3O3S/c29-23-22(24(30)28(25(31)27-23)17-11-5-2-6-12-17)19-15-21(16-9-3-1-4-10-16)32-20-14-8-7-13-18(20)26-19/h1,3-4,7-10,13-14,17,21,26H,2,5-6,11-12,15H2,(H,27,29,31)/b22-19-