3H-1,3-benzothiazol-2-ylidene-[(4R)-6-methyl-4-phenyl-5-(phenylcarbonyl)-1,4-dihydropyrimidin-2-yl]azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-6-methyl-4-phenyl-5-(phenylcarbonyl)-1,4-dihydropyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-5-benzoyl-6-methyl-4-phenyl-1,4-dihydropyrimidin-2-yl]ammonium Formula: C25H21N4OS+ MolecularWeight: 425.52544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)[NH+]=C2NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C([C@H](N=C(N1)[NH+]=C2NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H20N4OS/c1-16-21(23(30)18-12-6-3-7-13-18)22(17-10-4-2-5-11-17)28-24(26-16)29-25-27-19-14-8-9-15-20(19)31-25/h2-15,22H,1H3,(H2,26,27,28,29)/p+1/t22-/m1/s1