N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide

Systemtic Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide Openeye Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide CAS Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(1-pyrrolidinylmethyl)benzamide IUPAC Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(pyrrolidin-1-ylmethyl)benzamide Traditional Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-(pyrrolidinomethyl)benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CN5CCCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CN5CCCC5

InChI

InChI=1S/C26H25N3O2S/c1-31-22-14-13-21(19-7-3-2-4-8-19)24-23(22)27-26(32-24)28-25(30)20-11-9-18(10-12-20)17-29-15-5-6-16-29/h2-4,7-14H,5-6,15-17H2,1H3,(H,27,28,30)