9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-propyl-fluorene-9-carboxamide

Systemtic Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-propyl-fluorene-9-carboxamide Openeye Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-propyl-fluorene-9-carboxamide CAS Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-propyl-9-fluorenecarboxamide IUPAC Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-propylfluorene-9-carboxamide Traditional Name: 9-[4-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]butyl]-N-propyl-fluorene-9-carboxamide Formula: C33H38N4OS MolecularWeight: 538.74602

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)CCCCN4CCCN(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

CCCNC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)CCCCN4CCCN(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C33H38N4OS/c1-2-19-34-31(38)33(27-14-5-3-12-25(27)26-13-4-6-15-28(26)33)18-9-10-20-36-21-11-22-37(24-23-36)32-35-29-16-7-8-17-30(29)39-32/h3-8,12-17H,2,9-11,18-24H2,1H3,(H,34,38)