1,3-dimethyl-5-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[(2S)-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]barbituric acid Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C2C[C@H](SC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H19N3O3S/c1-23-19(25)18(20(26)24(2)21(23)27)15-12-17(13-8-4-3-5-9-13)28-16-11-7-6-10-14(16)22-15/h3-11,17,22H,12H2,1-2H3/t17-/m0/s1