5-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[2-(4-methoxyphenyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S2/c1-24-20(26)19(21(27)25(2)22(24)29)16-12-18(13-8-10-14(28-3)11-9-13)30-17-7-5-4-6-15(17)23-16/h4-11,18,23H,12H2,1-3H3