S-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl) N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioate

Systemtic Name: S-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl) N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioate Openeye Name: S-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl) N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioate CAS Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioic acid S-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)] ester IUPAC Name: S-(6-amino-4-oxo-1-phenylpyrimidin-2-yl) N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioate Traditional Name: N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamic acid S-(6-amino-4-keto-1-phenyl-pyrimidin-2-yl) ester Formula: C18H17N5O2S2 MolecularWeight: 399.48988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)NC(=O)SC3=NC(=O)C=C(N3C4=CC=CC=C4)N

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)NC(=O)SC3=NC(=O)C=C(N3C4=CC=CC=C4)N

InChI

InChI=1S/C18H17N5O2S2/c19-14-10-15(24)21-17(23(14)11-6-2-1-3-7-11)27-18(25)22-16-20-12-8-4-5-9-13(12)26-16/h1-3,6-7,10H,4-5,8-9,19H2,(H,20,22,25)