3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethylanilino)-oxomethyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethylphenyl)carbamoyl]-6-keto-4,5-dihydro-1H-pyrimidin-2-yl]ammonium Formula: C20H20N5O2S+ MolecularWeight: 394.4701

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=N2)[NH+]=C3NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)NC(=N2)[NH+]=C3NC4=CC=CC=C4S3)C

InChI

InChI=1S/C20H19N5O2S/c1-11-7-8-13(9-12(11)2)21-18(27)15-10-17(26)24-19(22-15)25-20-23-14-5-3-4-6-16(14)28-20/h3-9,15H,10H2,1-2H3,(H,21,27)(H2,22,23,24,25,26)/p+1/t15-/m1/s1