N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide

Systemtic Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide Openeye Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-thienylmethylamino)methyl]benzamide CAS Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide IUPAC Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(thiophen-2-ylmethylamino)methyl]benzamide Traditional Name: N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-thenylamino)methyl]benzamide Formula: C27H23N3O2S2 MolecularWeight: 485.62042

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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)CNCC5=CC=CS5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCC5=CC=CS5

InChI

InChI=1S/C27H23N3O2S2/c1-32-23-14-13-22(19-6-3-2-4-7-19)25-24(23)29-27(34-25)30-26(31)20-11-9-18(10-12-20)16-28-17-21-8-5-15-33-21/h2-15,28H,16-17H2,1H3,(H,29,30,31)