1,3-dimethyl-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-(2-thiophen-2-yl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[2-(2-thienyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]barbituric acid Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CS4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CS4)C(=O)N(C1=O)C

InChI

InChI=1S/C19H17N3O3S2/c1-21-17(23)16(18(24)22(2)19(21)25)12-10-15(14-8-5-9-26-14)27-13-7-4-3-6-11(13)20-12/h3-9,15,20H,10H2,1-2H3