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

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethoxyphenyl)carbamoyl]-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethoxyphenyl)carbamoyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethoxyanilino)-oxomethyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethoxyphenyl)carbamoyl]-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4R)-4-[(3,4-dimethoxyphenyl)carbamoyl]-6-keto-4,5-dihydro-1H-pyrimidin-2-yl]ammonium Formula: C20H20N5O4S+ MolecularWeight: 426.4689

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=N2)[NH+]=C3NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H]2CC(=O)NC(=N2)[NH+]=C3NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C20H19N5O4S/c1-28-14-8-7-11(9-15(14)29-2)21-18(27)13-10-17(26)24-19(22-13)25-20-23-12-5-3-4-6-16(12)30-20/h3-9,13H,10H2,1-2H3,(H,21,27)(H2,22,23,24,25,26)/p+1/t13-/m1/s1