(5Z)-1-methyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-methyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-methyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-methyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-methyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-methyl-5-(2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-ylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C2CC(SC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)NC1=S

Isomeric SMILES

CN1C(=O)/C(=C\2/CC(SC3=CC=CC=C3N2)C4=CC=CC=C4)/C(=O)NC1=S

InChI

InChI=1S/C20H17N3O2S2/c1-23-19(25)17(18(24)22-20(23)26)14-11-16(12-7-3-2-4-8-12)27-15-10-6-5-9-13(15)21-14/h2-10,16,21H,11H2,1H3,(H,22,24,26)/b17-14-