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

Systemtic Name: 4-[(3-imidazol-1-ylpropylamino)methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[(3-imidazol-1-ylpropylamino)methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[[3-(1-imidazolyl)propylamino]methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[(3-imidazol-1-ylpropylamino)methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[(3-imidazol-1-ylpropylamino)methyl]-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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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)CNCCCN5C=CN=C5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CNCCCN5C=CN=C5

InChI

InChI=1S/C28H27N5O2S/c1-35-24-13-12-23(21-6-3-2-4-7-21)26-25(24)31-28(36-26)32-27(34)22-10-8-20(9-11-22)18-29-14-5-16-33-17-15-30-19-33/h2-4,6-13,15,17,19,29H,5,14,16,18H2,1H3,(H,31,32,34)