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

Systemtic Name: 4-(1,4-diazepan-1-ylmethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(1,4-diazepan-1-ylmethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-(1,4-diazepan-1-ylmethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-(1,4-diazepan-1-ylmethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-(1,4-diazepan-1-ylmethyl)-N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)benzamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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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)CN5CCCNCC5

Isomeric SMILES

COC1=C2C(=C(C=C1)C3=CC=CC=C3)SC(=N2)NC(=O)C4=CC=C(C=C4)CN5CCCNCC5

InChI

InChI=1S/C27H28N4O2S/c1-33-23-13-12-22(20-6-3-2-4-7-20)25-24(23)29-27(34-25)30-26(32)21-10-8-19(9-11-21)18-31-16-5-14-28-15-17-31/h2-4,6-13,28H,5,14-18H2,1H3,(H,29,30,32)