N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(3-oxidanylidene-1,2-benzothiazol-2-yl)methyl]benzamide

Systemtic Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(3-oxidanylidene-1,2-benzothiazol-2-yl)methyl]benzamide Openeye Name: N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide CAS Name: N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide IUPAC Name: N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(3-oxo-1,2-benzothiazol-2-yl)methyl]benzamide Traditional Name: 4-[(3-keto-1,2-benzothiazol-2-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C31H24N6O2S MolecularWeight: 544.62626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4S3)NC5=NC=CC(=N5)C6=CN=CC=C6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4S3)NC5=NC=CC(=N5)C6=CN=CC=C6

InChI

InChI=1S/C31H24N6O2S/c1-20-8-13-24(17-27(20)36-31-33-16-14-26(35-31)23-5-4-15-32-18-23)34-29(38)22-11-9-21(10-12-22)19-37-30(39)25-6-2-3-7-28(25)40-37/h2-18H,19H2,1H3,(H,34,38)(H,33,35,36)