3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-methylpropyl)amino]methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-methylpropyl)amino]methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(diisobutylamino)methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-methylpropyl)amino]methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[[bis(2-methylpropyl)amino]methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(diisobutylamino)methyl]chromene-2,7-quinone Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=C2C(=CC(=C3NC4=CC=CC=C4S3)C(=O)O2)C=CC1=O)CC(C)C

Isomeric SMILES

CC(C)CN(CC1=C2C(=CC(=C3NC4=CC=CC=C4S3)C(=O)O2)C=CC1=O)CC(C)C

InChI

InChI=1S/C25H28N2O3S/c1-15(2)12-27(13-16(3)4)14-19-21(28)10-9-17-11-18(25(29)30-23(17)19)24-26-20-7-5-6-8-22(20)31-24/h5-11,15-16,26H,12-14H2,1-4H3