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

Systemtic Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxidanylidene-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]azanium Openeye Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]ammonium CAS Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]ammonium IUPAC Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]azanium Traditional Name: 3H-1,3-benzothiazol-2-ylidene-[(4S)-5-keto-4-phenyl-4,6,7,8-tetrahydro-1H-quinazolin-2-yl]ammonium Formula: C21H19N4OS+ MolecularWeight: 375.46676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(N=C(N2)[NH+]=C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C1

Isomeric SMILES

C1CC2=C([C@@H](N=C(N2)[NH+]=C3NC4=CC=CC=C4S3)C5=CC=CC=C5)C(=O)C1

InChI

InChI=1S/C21H18N4OS/c26-16-11-6-10-15-18(16)19(13-7-2-1-3-8-13)24-20(22-15)25-21-23-14-9-4-5-12-17(14)27-21/h1-5,7-9,12,19H,6,10-11H2,(H2,22,23,24,25)/p+1/t19-/m0/s1