N-[4-(4-phenethylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(4-phenethylpiperazin-1-yl)carbonyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(4-phenethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[oxo-(4-phenethyl-1-piperazinyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(4-phenethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(4-phenethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-piperonylamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N5CCN(CC5)CCC6=CC=CC=C6

Isomeric SMILES

C1CC(C2=C(C1)SC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N5CCN(CC5)CCC6=CC=CC=C6

InChI

InChI=1S/C28H30N4O4S/c33-26(20-9-10-22-23(17-20)36-18-35-22)30-28-29-25-21(7-4-8-24(25)37-28)27(34)32-15-13-31(14-16-32)12-11-19-5-2-1-3-6-19/h1-3,5-6,9-10,17,21H,4,7-8,11-16,18H2,(H,29,30,33)