N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenyl-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenyl-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-4-phenyl-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-4-phenylbenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylbenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-4-phenyl-benzamide Formula: C27H22N2O2S MolecularWeight: 438.54078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H22N2O2S/c1-18-15-19(2)25-24(16-18)32-27(28-25)29(17-23-9-6-14-31-23)26(30)22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-16H,17H2,1-2H3