3H-1,3-benzothiazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinazolin-2-yl]azanium

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinazolin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinazolin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinazolin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinazolin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-keto-7,7-dimethyl-4-phenyl-1,4,6,8-tetrahydroquinazolin-2-yl]ammonium Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(N=C(N2)[NH+]=C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H](N=C(N2)[NH+]=C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C23H22N4OS/c1-23(2)12-16-19(17(28)13-23)20(14-8-4-3-5-9-14)26-21(24-16)27-22-25-15-10-6-7-11-18(15)29-22/h3-11,20H,12-13H2,1-2H3,(H2,24,25,26,27)/p+1/t20-/m0/s1